 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Boat_STD_LCPBE_augccpVDZ.in
 Output=28_pantolactone_Boat_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/28_pantolactone_Boat_STD/Gau-5313.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/28_pantolactone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5315.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=28_pantolactone_Boat_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028000
 0000,3/108=0280000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=280000000,108=280000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "28_pantolactone_Boat_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 1.011671000000     -1.084086000000     -0.813691000000
  C                                                 1.419413000000     -0.188289000000      0.111620000000
  O                                                 2.553619000000     -0.095356000000      0.484544000000
  C                                                 0.235828000000      0.696000000000      0.519965000000
  C                                                -0.979961000000     -0.126503000000      0.081048000000
  C                                                -0.385884000000     -0.883675000000     -1.120205000000
  O                                                 0.318123000000      1.909739000000     -0.219607000000
  H                                                 0.252519000000      0.889728000000      1.595205000000
  C                                                -2.196472000000      0.704842000000     -0.305200000000
  C                                                -1.329021000000     -1.118373000000      1.197513000000
  H                                                -0.452245000000     -0.301310000000     -2.040275000000
  H                                                -0.831807000000     -1.864662000000     -1.274620000000
  H                                                 1.179565000000      2.308118000000     -0.044321000000
  H                                                -1.948274000000      1.441050000000     -1.067010000000
  H                                                -2.593106000000      1.235162000000      0.562058000000
  H                                                -2.987301000000      0.056387000000     -0.689334000000
  H                                                -0.472039000000     -1.735350000000      1.475951000000
  H                                                -2.129645000000     -1.785340000000      0.874079000000
  H                                                -1.668393000000     -0.590170000000      2.089853000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12          16          12          12          12          16           1          12          12
 AtmWgt=  15.9949146  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           1           0           0
 AtZEff=   5.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   8.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.350891   0.000000
     3  O    2.245129   1.197553   0.000000
     4  C    2.355690   1.532836   2.449419   0.000000
     5  C    2.384139   2.400364   3.556679   1.532091   0.000000
     6  C    1.444741   2.293480   3.440544   2.360520   1.539235
     7  O    3.130005   2.392545   3.084425   1.423693   2.433454
     8  H    3.205469   2.173657   2.738434   1.092680   2.201001
     9  C    3.708235   3.747806   4.881329   2.568474   1.523227
    10  C    3.086253   3.098082   4.077963   2.489934   1.533670
    11  H    2.064049   2.854213   3.930947   2.832473   2.192955
    12  H    2.054304   3.130476   4.205498   3.304144   2.209294
    13  H    3.482408   2.512746   2.818583   1.951405   3.256785
    14  H    3.898943   3.922401   5.003489   2.800695   2.170919
    15  H    4.501779   4.281287   5.316490   2.880162   2.165119
    16  H    4.160279   4.485590   5.665934   3.501438   2.157858
    17  H    2.804996   2.798640   3.581491   2.706741   2.189093
    18  H    3.634307   3.965820   4.994071   3.446434   2.168504
    19  H    3.982118   3.689100   4.543924   2.782955   2.173528
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.018255   0.000000
     8  H    3.305445   2.082851   0.000000
     9  C    2.542803   2.789676   3.105363   0.000000
    10  C    2.513246   3.727033   2.586870   2.516889   0.000000
    11  H    1.090909   2.965980   3.889984   2.658036   3.452477
    12  H    1.088589   4.084299   4.122902   3.066665   2.629755
    13  H    3.714256   0.965149   2.357815   3.746489   4.424477
    14  H    2.801471   2.464613   3.497833   1.088099   3.473066
    15  H    3.491605   3.088901   3.047015   1.091189   2.746059
    16  H    2.799417   3.818558   4.050927   1.092457   2.773111
    17  H    2.733642   4.097066   2.725847   3.478607   1.092065
    18  H    2.798369   4.565230   3.653863   2.756115   1.091079
    19  H    3.469214   3.940736   2.474809   2.773482   1.091074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.781675   0.000000
    13  H    3.668208   4.792843   0.000000
    14  H    2.494227   3.495330   3.403098   0.000000
    15  H    3.703535   4.010545   3.968876   1.764103   0.000000
    16  H    2.894736   2.946039   4.780074   1.771866   1.763769
    17  H    3.797461   2.777012   4.624787   4.328445   3.762721
    18  H    3.675524   2.511490   5.343288   3.769657   3.071740
    19  H    4.315138   3.693763   4.589732   3.764302   2.553642
                   16         17         18         19
    16  H    0.000000
    17  H    3.771647   0.000000
    18  H    2.563551   1.764201   0.000000
    19  H    3.143475   1.766232   1.766152   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4824118           1.4960408           1.2565744
 Leave Link  202 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     11     12     13     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      4      5      6      9     10
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.0319268020 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.280000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.280000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:              20.1 elap:               3.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.07D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Boat_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -459.091214037593    
 DIIS: error= 2.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -459.091214037593     IErMin= 1 ErrMin= 2.36D-03
 ErrMax= 2.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-02 BMatP= 1.18D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 GapD=    0.408 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.05D-02 MaxDP=1.00D+00              OVMax= 1.88D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.04D-02    CP:  1.06D+00
 E= -459.100641778102     Delta-E=       -0.009427740509 Rises=F Damp=F
 DIIS: error= 2.40D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -459.100641778102     IErMin= 1 ErrMin= 2.36D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-03 BMatP= 1.18D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.252D+00 0.748D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.245D+00 0.755D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=7.78D-02 DE=-9.43D-03 OVMax= 1.22D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.24D-04    CP:  1.06D+00  1.09D+00
 E= -459.101634274838     Delta-E=       -0.000992496736 Rises=F Damp=F
 DIIS: error= 1.79D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -459.101634274838     IErMin= 3 ErrMin= 1.79D-03
 ErrMax= 1.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-03 BMatP= 3.02D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.79D-02
 Coeff-Com: -0.308D-01 0.425D+00 0.606D+00
 Coeff-En:   0.000D+00 0.353D+00 0.647D+00
 Coeff:     -0.303D-01 0.424D+00 0.606D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=6.32D-04 MaxDP=3.88D-02 DE=-9.92D-04 OVMax= 6.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.19D-04    CP:  1.06D+00  1.14D+00  1.18D+00
 E= -459.102806476005     Delta-E=       -0.001172201167 Rises=F Damp=F
 DIIS: error= 2.20D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -459.102806476005     IErMin= 4 ErrMin= 2.20D-04
 ErrMax= 2.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-05 BMatP= 1.65D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.20D-03
 Coeff-Com: -0.132D-01 0.812D-01 0.163D+00 0.769D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.131D-01 0.810D-01 0.163D+00 0.769D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.41D-04 MaxDP=8.47D-03 DE=-1.17D-03 OVMax= 1.47D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.95D-05    CP:  1.06D+00  1.14D+00  1.30D+00  1.11D+00
 E= -459.102817728242     Delta-E=       -0.000011252237 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -459.102817728242     IErMin= 5 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-06 BMatP= 1.78D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.155D-02-0.322D-01-0.144D-01 0.463D+00 0.585D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.182D+00 0.818D+00
 Coeff:     -0.155D-02-0.321D-01-0.144D-01 0.463D+00 0.585D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=6.39D-05 MaxDP=4.15D-03 DE=-1.13D-05 OVMax= 7.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.63D-05    CP:  1.06D+00  1.15D+00  1.35D+00  1.19D+00  1.28D+00
 E= -459.102824858578     Delta-E=       -0.000007130336 Rises=F Damp=F
 DIIS: error= 2.01D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -459.102824858578     IErMin= 6 ErrMin= 2.01D-05
 ErrMax= 2.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-07 BMatP= 9.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.914D-03-0.224D-01-0.244D-01 0.105D+00 0.234D+00 0.707D+00
 Coeff:      0.914D-03-0.224D-01-0.244D-01 0.105D+00 0.234D+00 0.707D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=2.08D-05 MaxDP=1.49D-03 DE=-7.13D-06 OVMax= 2.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.91D-06    CP:  1.06D+00  1.15D+00  1.36D+00  1.22D+00  1.38D+00
                    CP:  1.25D+00
 E= -459.102825278530     Delta-E=       -0.000000419953 Rises=F Damp=F
 DIIS: error= 4.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -459.102825278530     IErMin= 7 ErrMin= 4.26D-06
 ErrMax= 4.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-08 BMatP= 4.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.464D-03-0.358D-02-0.613D-02-0.165D-01 0.120D-01 0.247D+00
 Coeff-Com:  0.767D+00
 Coeff:      0.464D-03-0.358D-02-0.613D-02-0.165D-01 0.120D-01 0.247D+00
 Coeff:      0.767D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=6.59D-06 MaxDP=5.04D-04 DE=-4.20D-07 OVMax= 7.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.65D-06    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.44D+00
                    CP:  1.33D+00  1.13D+00
 E= -459.102825326239     Delta-E=       -0.000000047709 Rises=F Damp=F
 DIIS: error= 1.46D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -459.102825326239     IErMin= 8 ErrMin= 1.46D-06
 ErrMax= 1.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-09 BMatP= 3.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.414D-04 0.945D-03 0.501D-03-0.140D-01-0.190D-01 0.763D-02
 Coeff-Com:  0.203D+00 0.821D+00
 Coeff:      0.414D-04 0.945D-03 0.501D-03-0.140D-01-0.190D-01 0.763D-02
 Coeff:      0.203D+00 0.821D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.81D-06 MaxDP=1.08D-04 DE=-4.77D-08 OVMax= 2.74D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.47D-07    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.45D+00
                    CP:  1.36D+00  1.19D+00  1.20D+00
 E= -459.102825330318     Delta-E=       -0.000000004079 Rises=F Damp=F
 DIIS: error= 9.34D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -459.102825330318     IErMin= 9 ErrMin= 9.34D-07
 ErrMax= 9.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.89D-10 BMatP= 2.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.429D-04 0.972D-03 0.113D-02-0.463D-02-0.117D-01-0.307D-01
 Coeff-Com: -0.124D-01 0.414D+00 0.643D+00
 Coeff:     -0.429D-04 0.972D-03 0.113D-02-0.463D-02-0.117D-01-0.307D-01
 Coeff:     -0.124D-01 0.414D+00 0.643D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=4.57D-07 MaxDP=1.29D-05 DE=-4.08D-09 OVMax= 1.09D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.56D-07    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.45D+00
                    CP:  1.37D+00  1.22D+00  1.25D+00  1.18D+00
 E= -459.102825331320     Delta-E=       -0.000000001002 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -459.102825331320     IErMin=10 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-11 BMatP= 9.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-04 0.120D-03 0.220D-03 0.608D-03-0.678D-03-0.745D-02
 Coeff-Com: -0.280D-01 0.672D-02 0.138D+00 0.891D+00
 Coeff:     -0.156D-04 0.120D-03 0.220D-03 0.608D-03-0.678D-03-0.745D-02
 Coeff:     -0.280D-01 0.672D-02 0.138D+00 0.891D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.68D-07 MaxDP=1.21D-05 DE=-1.00D-09 OVMax= 4.93D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.99D-08    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.45D+00
                    CP:  1.37D+00  1.22D+00  1.28D+00  1.26D+00  1.18D+00
 E= -459.102825331426     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -459.102825331426     IErMin=11 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-12 BMatP= 3.54D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.812D-06-0.685D-04-0.647D-04 0.577D-03 0.987D-03 0.166D-02
 Coeff-Com: -0.500D-02-0.358D-01-0.367D-01 0.154D+00 0.920D+00
 Coeff:      0.812D-06-0.685D-04-0.647D-04 0.577D-03 0.987D-03 0.166D-02
 Coeff:     -0.500D-02-0.358D-01-0.367D-01 0.154D+00 0.920D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=7.29D-08 MaxDP=5.85D-06 DE=-1.06D-10 OVMax= 2.07D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.42D-08    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.45D+00
                    CP:  1.37D+00  1.21D+00  1.28D+00  1.28D+00  1.23D+00
                    CP:  1.17D+00
 E= -459.102825331431     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.77D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -459.102825331431     IErMin=12 ErrMin= 1.77D-08
 ErrMax= 1.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-13 BMatP= 3.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-05-0.328D-04-0.436D-04 0.107D-03 0.354D-03 0.127D-02
 Coeff-Com:  0.995D-03-0.101D-01-0.246D-01-0.455D-01 0.262D+00 0.816D+00
 Coeff:      0.189D-05-0.328D-04-0.436D-04 0.107D-03 0.354D-03 0.127D-02
 Coeff:      0.995D-03-0.101D-01-0.246D-01-0.455D-01 0.262D+00 0.816D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=6.62D-07 DE=-5.68D-12 OVMax= 8.08D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.06D-08    CP:  1.06D+00  1.15D+00  1.36D+00  1.23D+00  1.45D+00
                    CP:  1.37D+00  1.21D+00  1.27D+00  1.27D+00  1.24D+00
                    CP:  1.27D+00  1.06D+00
 E= -459.102825331425     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 6.17D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -459.102825331431     IErMin=13 ErrMin= 6.17D-09
 ErrMax= 6.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-14 BMatP= 5.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.674D-07 0.709D-05 0.472D-05-0.726D-04-0.107D-03-0.103D-03
 Coeff-Com:  0.723D-03 0.454D-02 0.254D-02-0.275D-01-0.110D+00 0.906D-01
 Coeff-Com:  0.104D+01
 Coeff:      0.674D-07 0.709D-05 0.472D-05-0.726D-04-0.107D-03-0.103D-03
 Coeff:      0.723D-03 0.454D-02 0.254D-02-0.275D-01-0.110D+00 0.906D-01
 Coeff:      0.104D+01
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=7.39D-09 MaxDP=2.81D-07 DE= 5.91D-12 OVMax= 4.52D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -459.102825331     A.U. after   13 cycles
            NFock= 13  Conv=0.74D-08     -V/T= 2.0051
 KE= 4.567840329665D+02 PE=-2.068616300109D+03 EE= 6.556975150088D+02
 Leave Link  502 at Fri Jul 16 19:18:52 2021, MaxMem=  5637144576 cpu:            2232.9 elap:             281.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.81377083D+02

 Leave Link  801 at Fri Jul 16 19:18:53 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.72D-01 5.87D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 3.15D-02 3.03D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.52D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 1.51D-04 2.73D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 5.98D-06 3.75D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 1.89D-07 7.78D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 5.45D-09 1.38D-05.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 1.42D-10 1.58D-06.
     11 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 3.21D-12 2.25D-07.
      7 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 5.91D-14 2.74D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.942490D+02
      2  0.204460D+01  0.801319D+02
      3  0.422702D+01  0.133699D+01  0.772425D+02
 Isotropic polarizability for W=    0.085645       83.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.341251D+02  0.435316D+01  0.157902D+02
      2   0.199154D+02  0.144875D+01 -0.253183D+02
      3   0.142097D+02 -0.580191D+01  0.952816D+01
      4  -0.844886D+01 -0.611435D+02  0.819513D+01
      5   0.275054D+02  0.101543D+02 -0.670696D+02
      6  -0.286325D+01  0.371315D+00 -0.147604D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.380528D+01  0.100997D+02  0.436630D+01
      2   0.422260D+01  0.737595D+01 -0.271442D+02
      3  -0.105292D+02  0.287549D+02 -0.884283D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.195917D+01  0.256896D+02  0.895852D+01
      2  -0.117152D+02  0.110584D+02 -0.812793D+02
      3  -0.128020D+02  0.810589D+02 -0.130175D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.243651D+00 -0.183379D+01  0.106028D+01
      2  -0.183379D+01  0.245815D+00 -0.430237D+00
      3   0.106028D+01 -0.430237D+00  0.233622D+01
 OR G Eigenvalues:    -1.9155     1.0770     3.1769  Iso=    -0.7795
 Eigenvectors:
   (1)   0.768676   0.626643  -0.128278
   (2)  -0.442741   0.665990   0.600364
   (3)   0.461646  -0.404692   0.789372
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7795 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =     -284.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 7.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.32D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.56D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.47D-02 3.46D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 3.32D-03 9.81D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 3.97D-05 7.95D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 7.07D-07 8.93D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 6.39D-09 8.93D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 7.00D-11 8.00D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 6.13D-13 7.07D-08.
      3 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 5.24D-15 5.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942490D+02  0.204460D+01  0.422702D+01
      2   0.204460D+01  0.801319D+02  0.133699D+01
      3   0.422702D+01  0.133699D+01  0.772425D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380528D+01  0.100997D+02  0.436630D+01
      2   0.422260D+01  0.737595D+01 -0.271442D+02
      3  -0.105292D+02  0.287549D+02 -0.884283D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.341251D+02  0.435316D+01  0.157902D+02
      2   0.199154D+02  0.144875D+01 -0.253183D+02
      3   0.142097D+02 -0.580191D+01  0.952816D+01
      4  -0.844886D+01 -0.611435D+02  0.819513D+01
      5   0.275054D+02  0.101543D+02 -0.670696D+02
      6  -0.286325D+01  0.371315D+00 -0.147604D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.331987D+01 -0.201554D+01 -0.130428D+01 -0.124940D+01  0.419217D+00
      2  -0.201554D+01  0.339944D+00  0.529454D+00  0.419217D+00 -0.400606D+01
      3  -0.130428D+01  0.529454D+00 -0.432342D+00  0.423824D-01 -0.128126D+01
                 6             7             8             9            10 
      1   0.423824D-01 -0.664902D+00 -0.404425D+00  0.126449D+00 -0.720240D+01
      2  -0.128126D+01 -0.404425D+00 -0.173743D+01 -0.152125D+01 -0.155503D+01
      3  -0.863723D+00  0.126449D+00 -0.152125D+01 -0.308945D+01 -0.344205D+01
                11            12            13            14            15 
      1  -0.155503D+01 -0.344205D+01 -0.125852D+01  0.707184D+00  0.979775D+00
      2  -0.123229D+01  0.495003D+00  0.707184D+00  0.321416D+00  0.432951D+00
      3   0.495003D+00 -0.459954D+00  0.979775D+00  0.432951D+00  0.566217D+00
                16            17            18            19            20 
      1  -0.214834D+01  0.959866D+00  0.254251D+00  0.174385D+02  0.646905D+00
      2   0.959866D+00  0.413519D+00  0.824761D+00  0.646905D+00  0.328636D+01
      3   0.254251D+00  0.824761D+00  0.161273D+01  0.411765D+01  0.367740D+00
                21            22            23            24            25 
      1   0.411765D+01  0.162929D+00  0.319417D+01 -0.395405D+00  0.289286D+01
      2   0.367740D+00  0.319417D+01  0.100153D+01  0.969063D+00 -0.162639D+00
      3   0.301973D+01 -0.395405D+00  0.969063D+00  0.764944D-01  0.409719D+01
                26            27            28            29            30 
      1  -0.162639D+00  0.409719D+01  0.102442D+01  0.306630D+01  0.124612D+01
      2   0.899530D+00  0.808820D-01  0.306630D+01 -0.486656D+00 -0.156547D+00
      3   0.808820D-01  0.289846D+01  0.124612D+01 -0.156547D+00  0.293129D+00
                31            32            33            34            35 
      1   0.198895D+01 -0.466420D+00  0.273152D+00  0.132022D+01 -0.341832D+00
      2  -0.466420D+00 -0.219107D+01  0.113362D+01 -0.341832D+00  0.241055D+01
      3   0.273152D+00  0.113362D+01 -0.750662D+00  0.258372D-02 -0.180619D+01
                36            37            38            39            40 
      1   0.258372D-02 -0.168321D+01 -0.305954D+01  0.102367D+01 -0.266802D+01
      2  -0.180619D+01 -0.305954D+01 -0.661128D+00 -0.240401D+01 -0.326493D+00
      3  -0.632957D+01  0.102367D+01 -0.240401D+01 -0.133284D+01 -0.227026D+01
                41            42            43            44            45 
      1  -0.326493D+00 -0.227026D+01  0.108302D+01 -0.257401D+01 -0.102540D+01
      2   0.170570D+00 -0.825165D+00 -0.257401D+01 -0.177934D+01  0.357446D+01
      3  -0.825165D+00  0.441778D+01 -0.102540D+01  0.357446D+01  0.724921D+00
                46            47            48            49            50 
      1  -0.155576D+01  0.135697D+01 -0.776118D+00  0.467722D+00  0.225429D+01
      2   0.135697D+01  0.242639D+01  0.733946D+00  0.225429D+01  0.278362D+01
      3  -0.776118D+00  0.733946D+00  0.255213D+01  0.905923D+00  0.169768D+01
                51            52            53            54            55 
      1   0.905923D+00 -0.101187D+01  0.106922D+01  0.155700D+01 -0.414413D+01
      2   0.169768D+01  0.106922D+01  0.763927D+00 -0.294619D+01 -0.191346D+01
      3  -0.424544D+01  0.155700D+01 -0.294619D+01  0.260157D+01 -0.103193D+01
                56            57            58            59            60 
      1  -0.191346D+01 -0.103193D+01 -0.754357D+00 -0.944582D+00 -0.254992D+00
      2  -0.301130D+01 -0.129131D+00 -0.944582D+00  0.425065D+01 -0.128507D+01
      3  -0.129131D+00 -0.921538D+00 -0.254992D+00 -0.128507D+01 -0.145575D+00
                61            62            63            64            65 
      1  -0.193631D+01 -0.338477D+00 -0.619365D-01 -0.179681D+00 -0.934009D-01
      2  -0.338477D+00 -0.315788D+01  0.169040D+01 -0.934009D-01 -0.725976D-02
      3  -0.619365D-01  0.169040D+01 -0.786468D+00  0.112433D+01  0.632976D-01
                66            67            68            69            70 
      1   0.112433D+01  0.341774D-01  0.109726D+00  0.357785D-01  0.139926D+01
      2   0.632976D-01  0.109726D+00  0.128475D+01  0.109208D+01  0.386379D+00
      3   0.452656D-01  0.357785D-01  0.109208D+01  0.101145D+01  0.160021D+00
                71            72            73            74            75 
      1   0.386379D+00  0.160021D+00  0.175087D+01  0.309277D+01 -0.569896D-01
      2   0.184186D+01  0.120675D+01  0.309277D+01  0.330017D+00  0.320831D+01
      3   0.120675D+01  0.829661D+01 -0.569896D-01  0.320831D+01  0.118361D+01
                76            77            78            79            80 
      1   0.355564D+01  0.957863D+00  0.321228D+01 -0.447701D-01  0.308683D+01
      2   0.957863D+00 -0.136794D+01  0.127357D+01  0.308683D+01  0.115419D+01
      3   0.321228D+01  0.127357D+01 -0.359777D+01  0.187052D+01 -0.371808D+01
                81            82            83            84            85 
      1   0.187052D+01  0.463529D+00  0.425558D+01 -0.835677D+00  0.406881D+01
      2  -0.371808D+01  0.425558D+01  0.240909D+00  0.289226D+01  0.473089D+00
      3  -0.208445D+00 -0.835677D+00  0.289226D+01  0.547703D+00  0.297606D+01
                86            87            88            89            90 
      1   0.473089D+00  0.297606D+01 -0.499831D+00  0.318638D+01  0.101344D+01
      2   0.147028D+01  0.241296D+00  0.318638D+01  0.121580D+01 -0.298817D+01
      3   0.241296D+00 -0.385246D+01  0.101344D+01 -0.298817D+01 -0.237768D+01
                91            92            93            94            95 
      1  -0.785635D-01  0.408603D+00 -0.114339D+01  0.124577D+01 -0.736159D+00
      2   0.408603D+00 -0.295878D+00  0.623196D-01 -0.736159D+00  0.908777D+00
      3  -0.114339D+01  0.623196D-01 -0.714895D+00  0.194559D+00 -0.172940D+01
                96            97            98            99           100 
      1   0.194559D+00 -0.172943D+01  0.891161D-01 -0.989365D+00 -0.191343D+01
      2  -0.172940D+01  0.891161D-01 -0.135759D+01  0.145187D+01 -0.198167D+01
      3   0.357405D+01 -0.989365D+00  0.145187D+01 -0.803623D+01 -0.610927D+00
               101           102           103           104           105 
      1  -0.198167D+01 -0.610927D+00 -0.228790D+01 -0.220392D+01 -0.796182D+00
      2  -0.240216D+01 -0.953994D+00 -0.220392D+01 -0.686554D+01 -0.236419D+01
      3  -0.953994D+00 -0.120053D+01 -0.796182D+00 -0.236419D+01 -0.173901D+01
               106           107           108           109           110 
      1  -0.215987D+00 -0.432852D+00 -0.901977D+00  0.472923D+01  0.330365D+01
      2  -0.432852D+00 -0.103979D+01 -0.998901D+00  0.330365D+01  0.457187D+01
      3  -0.901977D+00 -0.998901D+00 -0.163151D+01  0.280295D-02 -0.135412D+00
               111           112           113           114           115 
      1   0.280295D-02  0.258777D+01  0.212094D+01 -0.109776D-01  0.535197D+00
      2  -0.135412D+00  0.212094D+01  0.374552D+01 -0.262573D-01  0.374127D+00
      3   0.105579D+01 -0.109776D-01 -0.262573D-01  0.655863D+00  0.553986D+00
               116           117           118           119           120 
      1   0.374127D+00  0.553986D+00  0.588338D+00  0.226297D+00 -0.468231D+00
      2   0.639714D+00  0.727009D+00  0.226297D+00  0.478137D+00 -0.543081D+00
      3   0.727009D+00 -0.804339D-01 -0.468231D+00 -0.543081D+00  0.496802D+00
               121           122           123           124           125 
      1   0.105288D+01 -0.555293D+00  0.453376D-03 -0.143413D+01  0.152595D+00
      2  -0.555293D+00  0.406285D+01 -0.236077D+01  0.152595D+00 -0.285300D+01
      3   0.453376D-03 -0.236077D+01  0.277217D+01 -0.577583D+00  0.272965D+01
               126           127           128           129           130 
      1  -0.577583D+00 -0.293613D+01  0.112866D+01  0.131148D+01  0.148673D+01
      2   0.272965D+01  0.112866D+01 -0.126784D+01 -0.975256D+00 -0.170370D+01
      3  -0.372847D+01  0.131148D+01 -0.975256D+00 -0.137449D+01 -0.122039D+01
               131           132           133           134           135 
      1  -0.170370D+01 -0.122039D+01  0.313670D+01 -0.185802D+01 -0.206677D+01
      2   0.277910D+01  0.126705D+01 -0.185802D+01  0.231530D+01  0.198579D+01
      3   0.126705D+01  0.187766D+01 -0.206677D+01  0.198579D+01  0.365739D+01
               136           137           138           139           140 
      1  -0.678924D+01 -0.169506D+01 -0.175645D+01 -0.409200D+01 -0.171188D+01
      2  -0.169506D+01 -0.158591D+01 -0.765739D+00 -0.171188D+01 -0.186674D+01
      3  -0.175645D+01 -0.765739D+00 -0.164857D+01 -0.134402D+01 -0.764237D+00
               141           142           143           144           145 
      1  -0.134402D+01 -0.225882D+01 -0.795827D+00 -0.180736D+01  0.339773D+01
      2  -0.764237D+00 -0.795827D+00 -0.815675D+00 -0.186350D+00 -0.202352D+01
      3  -0.927454D+00 -0.180736D+01 -0.186350D+00 -0.141975D+01  0.924731D+00
               146           147           148           149           150 
      1  -0.202352D+01  0.924731D+00 -0.212421D+01  0.148103D+01 -0.904270D+00
      2   0.282804D+01 -0.163986D+01  0.148103D+01 -0.363446D+01  0.143216D+01
      3  -0.163986D+01  0.196005D+01 -0.904270D+00  0.143216D+01 -0.108521D+01
               151           152           153           154           155 
      1   0.858908D+00 -0.842658D+00  0.776585D+00 -0.471952D+01 -0.312184D+01
      2  -0.842658D+00  0.103780D+01 -0.844410D+00 -0.312184D+01 -0.300118D+01
      3   0.776585D+00 -0.844410D+00  0.170127D+01  0.997726D-01 -0.142972D+00
               156           157           158           159           160 
      1   0.997726D-01 -0.307744D+01 -0.258016D+01 -0.251539D+00 -0.124802D+01
      2  -0.142972D+00 -0.258016D+01 -0.407352D+01  0.664445D-01 -0.102210D+01
      3  -0.128152D+01 -0.251539D+00  0.664445D-01 -0.649865D+00 -0.741254D+00
               161           162           163           164           165 
      1  -0.102210D+01 -0.741254D+00 -0.151044D+01 -0.266857D-01  0.157550D+01
      2  -0.133720D+01 -0.287778D+00 -0.266857D-01 -0.550079D+00 -0.506339D+00
      3  -0.287778D+00 -0.426299D+00  0.157550D+01 -0.506339D+00 -0.178753D+01
               166           167           168           169           170 
      1   0.860461D+00 -0.488909D+00 -0.117234D+01  0.196623D+01 -0.531660D+00
      2  -0.488909D+00  0.122627D+01  0.103043D+01 -0.531660D+00  0.138572D+01
      3  -0.117234D+01  0.103043D+01  0.290548D+01 -0.224037D+01  0.102574D+01
               171 
      1  -0.224037D+01
      2   0.102574D+01
      3   0.662136D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.906799D+00 -0.553384D+00  0.702110D+00 -0.461939D+01  0.329317D+01
      2   0.610738D+01 -0.162636D+01  0.626206D+01 -0.480934D+01  0.770764D-01
      3  -0.565802D+01 -0.408446D+01  0.143621D+01  0.813662D+01  0.350664D+01
                 6             7             8             9            10 
      1  -0.403659D+01  0.237484D+01  0.226868D+00 -0.414269D+01 -0.233115D+01
      2  -0.549646D+00 -0.575298D+01 -0.349528D+01 -0.282583D+01  0.718843D+00
      3   0.249598D+01  0.404317D+01 -0.131111D+01  0.171233D+01  0.456897D+01
                11            12            13            14            15 
      1  -0.336836D+01 -0.100703D+01  0.178400D+01 -0.107048D+02 -0.250647D+01
      2   0.234172D+01 -0.942254D+01  0.826439D+01 -0.147215D+01 -0.836467D+00
      3   0.107683D+02 -0.195852D+01  0.753750D+01 -0.575245D+01 -0.331060D+00
                16            17            18            19            20 
      1  -0.234477D+01  0.717426D+01  0.792368D+01  0.124078D+01  0.501324D+01
      2  -0.727045D+01  0.182195D+01 -0.352193D+01  0.243342D+01  0.242154D+01
      3  -0.771540D+01  0.543044D+01  0.409895D+00 -0.639997D+01 -0.185566D+02
                21            22            23            24            25 
      1   0.206367D+00 -0.360858D+00  0.327744D+01 -0.189564D+01  0.231968D+01
      2   0.168215D+02 -0.811734D+00  0.283487D+01  0.350876D+00  0.378190D+01
      3  -0.246766D+01 -0.351783D+01 -0.146598D+01 -0.133116D+01  0.120347D+01
                26            27            28            29            30 
      1   0.199181D+01 -0.885925D+00  0.244479D+01 -0.181753D+01  0.208624D+01
      2   0.185860D+00  0.730642D+01  0.198639D+01 -0.397689D+01  0.780290D+00
      3  -0.461394D+01 -0.275097D+01 -0.127229D+01 -0.227916D+01  0.132914D+01
                31            32            33            34            35 
      1  -0.295959D+01  0.851397D+00  0.222216D+01  0.845521D+00  0.384221D+01
      2  -0.420443D+01  0.174320D+01 -0.210523D+01 -0.509398D+01  0.148959D+00
      3   0.321234D+01  0.721090D+01 -0.154058D+00  0.328485D+01 -0.140132D+01
                36            37            38            39            40 
      1   0.523485D+00 -0.391558D+00  0.740244D-02 -0.787530D+00  0.928117D+00
      2  -0.265674D+01 -0.880694D+00  0.495848D+01  0.668740D+01  0.454046D+01
      3   0.634178D-01 -0.464706D+01 -0.445598D+01 -0.381788D+01  0.409210D+01
                41            42            43            44            45 
      1   0.804817D+00 -0.280310D+01  0.157996D+00  0.494385D+01 -0.113235D+01
      2   0.840958D+00 -0.357821D+01 -0.262125D+01 -0.321073D+01 -0.205824D+01
      3  -0.116917D+01 -0.298691D+00 -0.272174D+01 -0.137775D+00  0.499171D+01
                46            47            48            49            50 
      1  -0.118131D+01 -0.326037D+01  0.391086D+00 -0.370862D+01 -0.541632D+01
      2  -0.522006D+01  0.110795D+01 -0.281543D+01  0.550155D+00  0.228258D+01
      3   0.738653D+01  0.176721D+01  0.208782D+01  0.476653D+01  0.226061D+00
                51            52            53            54            55 
      1  -0.110760D+02 -0.953452D+00 -0.313599D+01  0.939003D+01  0.277395D+01
      2   0.489047D+01 -0.544618D+01  0.238555D+01  0.112930D+01 -0.222412D+01
      3   0.186822D+01 -0.356365D+00 -0.339152D+00 -0.517870D+01 -0.123555D+02
                56            57            58            59            60 
      1   0.110558D+01  0.141919D+01  0.219343D+01  0.459835D+01 -0.712504D+01
      2  -0.249419D+01  0.157525D+01 -0.717226D+00 -0.233866D+01  0.405686D+00
      3  -0.668187D+01 -0.103376D+01  0.210614D+01 -0.561606D+01  0.245483D+00
                61            62            63            64            65 
      1   0.705592D+00  0.130937D+01  0.439149D+01 -0.704319D+00  0.907763D-01
      2  -0.310714D+01 -0.203518D+00 -0.113027D+01  0.844063D+00  0.103108D+01
      3  -0.465791D+01  0.209239D+01 -0.118355D+01 -0.224522D+00 -0.111165D+01
                66            67            68            69            70 
      1   0.160283D+00  0.654248D-01  0.330539D+00 -0.411449D+00  0.960801D+00
      2   0.595728D+00 -0.281546D-01  0.258638D+00  0.168257D+00 -0.439639D+01
      3   0.442898D-01  0.939525D+00 -0.262559D+00 -0.319613D+00  0.170922D+01
                71            72            73            74            75 
      1   0.355076D+01 -0.485572D+01 -0.864600D+00 -0.288108D+01 -0.258286D+01
      2  -0.649442D+00  0.293691D+01  0.132810D+01 -0.739684D+01 -0.203784D+01
      3  -0.402746D+00 -0.349629D+00  0.106269D+02  0.177273D+01  0.839304D+01
                76            77            78            79            80 
      1  -0.318111D+01 -0.261122D+00  0.133183D+01 -0.403247D+01  0.502174D+01
      2  -0.781000D+01 -0.305122D+01  0.103515D+02 -0.898506D+01  0.112934D+02
      3   0.930141D+01 -0.354996D+01  0.625242D+01  0.862722D+01  0.565980D+01
                81            82            83            84            85 
      1   0.200029D+01  0.516103D+01  0.435604D+01  0.572098D+01  0.528651D+01
      2   0.900791D+00  0.230662D+00 -0.122904D+02  0.283885D+01 -0.112586D+02
      3  -0.789357D+01  0.544844D+01 -0.837261D+01  0.664092D+01 -0.261220D+01
                86            87            88            89            90 
      1   0.387020D+01 -0.708781D+01  0.614137D+01 -0.102717D+01 -0.956519D+01
      2  -0.966147D+00  0.510623D+00 -0.307642D+01 -0.249707D+00  0.333272D+01
      3   0.238048D+01 -0.389066D+01  0.540264D+01 -0.339386D+01 -0.570467D+01
                91            92            93            94            95 
      1  -0.187830D+01  0.797185D+00 -0.506782D+00  0.242942D+01 -0.456579D+01
      2  -0.685973D-01  0.108257D+01 -0.501036D+00  0.339378D+01 -0.726198D+00
      3   0.219340D+00 -0.169363D+01  0.518822D+00 -0.839458D+00  0.178820D+01
                96            97            98            99           100 
      1   0.527830D+01 -0.150927D+01  0.631772D+01 -0.987075D+01  0.237391D+01
      2  -0.190819D+01 -0.478566D+01 -0.761221D+00  0.220788D+01 -0.272899D+01
      3  -0.158703D+01  0.120053D+01 -0.108141D+01  0.302695D+01  0.188343D+01
               101           102           103           104           105 
      1   0.275742D+01 -0.706115D+00  0.267770D+01  0.780795D+01 -0.117544D+01
      2  -0.201365D+01  0.149326D+01 -0.407355D+01 -0.237535D+01  0.200161D+00
      3  -0.503048D+00 -0.197077D+00  0.437380D+01 -0.193728D+01 -0.350925D+00
               106           107           108           109           110 
      1  -0.518511D+00  0.117773D+01 -0.371519D+00 -0.147806D+01 -0.643300D+00
      2  -0.691454D+00 -0.514714D+00 -0.711190D+00  0.165301D+01  0.177664D+01
      3   0.557040D+00  0.153953D+00  0.122308D+01  0.116683D+02  0.314032D+01
               111           112           113           114           115 
      1  -0.268564D+01 -0.926259D+00 -0.279284D+00 -0.181163D+01 -0.105142D+01
      2   0.194733D+01  0.966747D+00  0.123236D+01  0.968841D+00 -0.138001D+00
      3   0.270807D+00  0.508706D+01  0.387331D+01 -0.826188D-01  0.147963D+01
               116           117           118           119           120 
      1  -0.297641D+00  0.158557D+00  0.423542D-01 -0.388183D+00 -0.275264D+00
      2   0.783356D+00  0.445363D+00  0.240243D+01  0.134541D+01 -0.895094D+00
      3  -0.835475D-01  0.630386D+00  0.190121D+01  0.118092D+01 -0.155202D+01
               121           122           123           124           125 
      1   0.561903D-01 -0.800825D+00 -0.319684D+01  0.267834D+00  0.774623D+00
      2   0.187904D+01  0.561341D+01 -0.715231D+01 -0.187868D+01 -0.642015D+01
      3   0.223956D+01  0.977188D+01 -0.609302D+01 -0.241479D+01 -0.717465D+01
               126           127           128           129           130 
      1   0.291628D+01 -0.166708D+01  0.104451D+01  0.217458D+01  0.170130D+01
      2   0.856125D+01 -0.382219D+01  0.315788D+01  0.533624D+01  0.292837D+01
      3   0.619580D+01  0.335893D+00 -0.360760D+01 -0.160853D+01 -0.142128D+01
               131           132           133           134           135 
      1  -0.136937D+01 -0.371799D+01  0.203579D+01 -0.464076D+00 -0.527843D+01
      2  -0.382584D+01 -0.603163D+01  0.370775D+01 -0.539304D+01 -0.108334D+02
      3   0.594720D+01  0.220699D+01 -0.133244D+01  0.537874D+01  0.374880D+01
               136           137           138           139           140 
      1   0.201060D+01  0.193676D+01  0.993565D+00  0.126015D+01  0.206933D+01
      2   0.164734D+01  0.129976D+01  0.555871D+01  0.152018D+01  0.133953D+01
      3  -0.871781D+01 -0.768082D+01 -0.350866D+01 -0.514581D+01 -0.749432D+01
               141           142           143           144           145 
      1  -0.436845D+00  0.138957D+01  0.159438D+01  0.542388D+00 -0.190678D+01
      2   0.301652D+01  0.212118D+01  0.252801D+00  0.323232D+01 -0.822609D+01
      3  -0.269383D+01 -0.360682D+01 -0.346882D+01 -0.174328D+01 -0.942476D+01
               146           147           148           149           150 
      1   0.257404D+01  0.137510D+01  0.114277D+01 -0.342185D+01 -0.107222D+01
      2   0.488397D+01 -0.186748D+01  0.514101D+01 -0.411454D+01  0.219728D+01
      3   0.480790D+01 -0.276620D+01  0.702562D+01 -0.590820D+01  0.303925D+01
               151           152           153           154           155 
      1  -0.572113D-01  0.154485D+01  0.117980D+01 -0.445474D+01 -0.439820D+01
      2  -0.339356D+01  0.250149D+01 -0.274738D+01  0.581530D+01  0.430724D+01
      3  -0.269160D+01  0.227910D+01 -0.225660D+01  0.241063D+01 -0.255619D+01
               156           157           158           159           160 
      1  -0.355637D+01 -0.406803D+01 -0.538024D+01 -0.262248D+01 -0.206862D+01
      2   0.420357D+01  0.486249D+01  0.361769D+01  0.237485D+01  0.159962D+01
      3  -0.259277D-01  0.222511D+01 -0.343965D+01  0.445064D+00  0.697746D+00
               161           162           163           164           165 
      1  -0.740832D+00 -0.174436D+01  0.171728D+01 -0.237254D+01 -0.312191D+01
      2   0.141445D+01  0.221652D+01  0.117728D+00  0.752223D+00  0.206052D+01
      3  -0.119362D+01  0.540464D+00  0.122776D+01 -0.191985D+01 -0.245337D+01
               166           167           168           169           170 
      1  -0.181507D+01  0.462832D+01  0.352191D+01 -0.364077D+01  0.626164D+01
      2  -0.333594D+00 -0.970193D+00 -0.327339D+01 -0.169806D+01 -0.913512D+00
      3  -0.381922D+00  0.291450D+01  0.269232D+01 -0.270843D+01  0.360752D+01
               171 
      1   0.948950D+01
      2  -0.789756D+01
      3   0.451814D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768454D+01 -0.223934D+01 -0.400106D+01  0.320743D+01 -0.109406D+02
      2  -0.400109D+01  0.694534D-01 -0.800557D-01 -0.284628D+01  0.166019D+02
      3  -0.368345D+01  0.216988D+01  0.408111D+01 -0.361150D+00 -0.566138D+01
      4  -0.588782D+01  0.145672D+02  0.436175D+01  0.701838D+01 -0.718056D+01
      5  -0.599553D+01  0.484409D+01  0.133092D+02  0.355992D+01 -0.487620D+01
      6   0.368960D+01  0.443643D+00 -0.122903D+01 -0.139035D+01  0.855826D+01
                 6             7             8             9            10 
      1  -0.560650D+01  0.247358D+01 -0.526721D+01 -0.106702D+02 -0.508442D+02
      2   0.214036D+01  0.324867D+00  0.237751D+01 -0.288675D+01  0.295647D+02
      3   0.346613D+01 -0.279845D+01  0.288970D+01  0.135570D+02  0.212795D+02
      4  -0.265564D+01  0.334243D+01  0.308112D+01 -0.374481D+01 -0.397515D+01
      5   0.828480D+00  0.719254D+01 -0.417145D+01 -0.415098D+01 -0.186028D+02
      6   0.845622D+01 -0.983065D+00  0.981909D+01  0.920392D+01  0.326390D+01
                11            12            13            14            15 
      1   0.175943D+01 -0.845443D+01 -0.695271D+01  0.147830D+01  0.850775D+01
      2  -0.689930D+01  0.805815D+01  0.226611D+01 -0.604559D+00 -0.146308D+01
      3   0.513987D+01  0.396278D+00  0.468660D+01 -0.873739D+00 -0.704467D+01
      4  -0.157307D+02  0.111757D+00  0.473114D+01 -0.337320D+01  0.123307D+01
      5   0.139193D+00 -0.183450D+02 -0.215055D+01  0.585193D+00 -0.177394D+01
      6  -0.557116D+01  0.909212D+00 -0.384121D+00 -0.564148D+01  0.327198D+00
                16            17            18            19            20 
      1  -0.165936D+02  0.900775D+01  0.470018D-01  0.102095D+03  0.896066D+00
      2   0.838378D+01 -0.872529D+01  0.362229D+00 -0.557669D+02  0.356798D+01
      3   0.820986D+01 -0.282461D+00 -0.409231D+00 -0.463280D+02 -0.446405D+01
      4  -0.152755D+01 -0.786252D+01  0.149062D+01  0.196355D-01  0.248942D+02
      5  -0.113785D+01  0.330191D+01 -0.641962D+01  0.241536D+02  0.137216D+00
      6   0.205324D+01 -0.226840D+01 -0.567293D+01 -0.544305D+01  0.301121D+01
                21            22            23            24            25 
      1   0.156824D+02  0.392412D+01  0.959028D+01 -0.204755D+01  0.129404D+02
      2  -0.122331D+02 -0.312339D+01 -0.160519D+00  0.803690D+00 -0.105026D+02
      3  -0.344924D+01 -0.800726D+00 -0.942976D+01  0.124386D+01 -0.243775D+01
      4  -0.972168D-02  0.218715D+02  0.184237D+01  0.571713D+01 -0.149279D+01
      5   0.283489D+02 -0.133312D+01  0.446753D+01  0.661214D+00  0.277819D+02
      6  -0.227148D+01  0.336227D+01 -0.391810D+00  0.511633D+01 -0.277311D+01
                26            27            28            29            30 
      1  -0.182067D+01  0.125527D+02 -0.587427D+01  0.531424D+01  0.205139D+01
      2   0.131426D+01 -0.136984D+02  0.393905D+01 -0.622969D+01 -0.952120D+00
      3   0.506416D+00  0.114568D+01  0.193522D+01  0.915447D+00 -0.109927D+01
      4   0.632197D+01 -0.111536D+01  0.727468D+00  0.542630D+00 -0.209954D+00
      5  -0.126227D+00  0.176344D+02  0.205608D+01  0.100549D+00 -0.280164D-01
      6   0.526370D+01 -0.165083D+01  0.105400D+01 -0.605447D+00 -0.233778D+01
                31            32            33            34            35 
      1  -0.595144D+01  0.866441D+01 -0.611463D+01  0.278948D+00 -0.981439D+01
      2   0.430999D+01 -0.146709D+02  0.382142D+01 -0.104724D+01  0.170433D+02
      3   0.164145D+01  0.600653D+01  0.229322D+01  0.768290D+00 -0.722888D+01
      4  -0.365273D+01 -0.155066D+01  0.156215D+01 -0.808117D+00 -0.139976D+01
      5  -0.439106D+00  0.204607D+00 -0.413877D+01 -0.255999D+01 -0.713863D+00
      6   0.145295D+01  0.157317D+01 -0.356381D+01 -0.360918D-01 -0.551420D+00
                36            37            38            39            40 
      1   0.860992D+01  0.243046D+01  0.780876D+01 -0.451952D+01  0.131019D+02
      2   0.122937D+02 -0.115051D+01 -0.137452D+01  0.337283D+01 -0.369758D+01
      3  -0.209036D+02 -0.127996D+01 -0.643424D+01  0.114669D+01 -0.940428D+01
      4   0.104815D+01  0.120712D+02  0.414624D+00  0.482297D+01  0.291279D+00
      5  -0.560134D+01 -0.501342D+01  0.553468D+01  0.257223D+01  0.105593D+02
      6  -0.995982D+01 -0.240890D+01  0.485739D+01  0.962437D+00  0.350951D+01
                41            42            43            44            45 
      1   0.699732D+00  0.663478D+01 -0.276563D+01  0.643408D+01  0.306185D+01
      2   0.311085D+01 -0.420758D+01  0.117564D+01 -0.190782D+01 -0.630580D+01
      3  -0.381059D+01 -0.242720D+01  0.158999D+01 -0.452627D+01  0.324394D+01
      4  -0.718447D-01  0.287489D+01  0.845272D+01  0.187787D+01 -0.827067D+01
      5   0.382925D+01 -0.869515D+01  0.430017D+01 -0.880107D+01  0.274149D+01
      6   0.472410D+01 -0.477440D+01 -0.246521D+01 -0.493602D+01  0.355581D+01
                46            47            48            49            50 
      1  -0.362253D+01  0.364385D+01  0.753403D+01  0.197644D+01  0.632829D+01
      2  -0.838677D+00 -0.693015D+01 -0.756097D+00 -0.743194D+01 -0.109190D+02
      3   0.446121D+01  0.328631D+01 -0.677794D+01  0.545550D+01  0.459074D+01
      4  -0.246165D+01 -0.120259D+02 -0.371443D+01 -0.663120D+01 -0.847397D+01
      5   0.325817D+01 -0.556422D+01 -0.706915D+01 -0.466404D+01 -0.706302D+01
      6   0.517637D+00 -0.930206D+01 -0.533114D+01 -0.834546D+01 -0.112479D+02
                51            52            53            54            55 
      1  -0.778157D+01  0.598126D+01 -0.594572D+01  0.670450D+01  0.473366D+01
      2  -0.108457D+02 -0.174308D+01 -0.699891D+01  0.972289D+01 -0.821903D+01
      3   0.186273D+02 -0.423819D+01  0.129446D+02 -0.164274D+02  0.348538D+01
      4  -0.526443D+01 -0.120701D+01 -0.245807D+01  0.123631D+01 -0.173843D+02
      5   0.452983D+01 -0.230727D+01  0.136453D+01 -0.653072D+01 -0.133139D+01
      6  -0.240565D+01 -0.197311D+01 -0.105150D+00  0.653764D+01 -0.356678D+01
                56            57            58            59            60 
      1   0.166504D+01 -0.124853D+00  0.320774D+01 -0.205812D+02  0.590782D+01
      2  -0.914390D+01  0.220788D+00 -0.600264D+01  0.306836D+02 -0.157797D+01
      3   0.747886D+01 -0.959351D-01  0.279490D+01 -0.101024D+02 -0.432985D+01
      4  -0.568963D+01 -0.270538D+01  0.364021D+00 -0.508141D+01 -0.208366D+01
      5  -0.650613D+00  0.326317D+01 -0.356273D+00 -0.107688D+01  0.178031D+01
      6  -0.209618D+01 -0.142112D+01 -0.192762D+01 -0.436159D+01  0.922623D+01
                61            62            63            64            65 
      1  -0.131945D+01  0.915534D+01 -0.823627D+01  0.217876D+00 -0.366322D+00
      2   0.145900D+00 -0.141756D+02  0.205715D+01 -0.318870D+01 -0.219204D+00
      3   0.117355D+01  0.502023D+01  0.617913D+01  0.297082D+01  0.585527D+00
      4  -0.544309D+01 -0.361292D+01  0.323296D+00 -0.245098D+00  0.246586D+01
      5   0.345803D+01  0.181891D+01 -0.229586D+01  0.112548D+01  0.124438D+01
      6  -0.880421D+00  0.108662D+02 -0.605134D+01  0.204161D+01  0.187045D+00
                66            67            68            69            70 
      1   0.443794D+00  0.151200D+00 -0.559269D+01 -0.357614D+01  0.430789D+00
      2  -0.601108D+00 -0.198004D+00  0.298599D+01  0.958297D+00 -0.260759D+00
      3   0.157314D+00  0.468037D-01  0.260669D+01  0.261784D+01 -0.170030D+00
      4   0.247820D+01  0.180937D+01  0.517873D+00  0.218177D+00  0.172361D+01
      5   0.662187D+01  0.690460D+00  0.414288D+00  0.654232D+00  0.607299D+01
      6   0.635099D+00  0.211673D+00  0.456553D+01  0.834144D+01  0.866653D+00
                71            72            73            74            75 
      1  -0.469232D+01 -0.183769D+02 -0.119135D+02 -0.159107D+02 -0.376056D+01
      2   0.108780D+01 -0.155325D+02  0.104203D+02  0.101379D+02  0.578990D+01
      3   0.360452D+01  0.339094D+02  0.149320D+01  0.577273D+01 -0.202934D+01
      4   0.897289D+00  0.202662D+00 -0.170665D+02 -0.124574D+01 -0.154632D+02
      5   0.103441D+01  0.509926D+01 -0.176287D+01 -0.171434D+02 -0.827842D+01
      6   0.769214D+01  0.162125D+02 -0.538536D+01  0.353548D+01  0.437784D+00
                76            77            78            79            80 
      1  -0.207819D+02 -0.778937D+00 -0.196220D+02 -0.412000D+01 -0.181250D+02
      2   0.132035D+02  0.113421D+01  0.992914D+01  0.640410D+01  0.824426D+01
      3   0.757840D+01 -0.355278D+00  0.969288D+01 -0.228411D+01  0.988071D+01
      4  -0.390013D+01  0.405665D+01 -0.120672D+01 -0.182941D+02  0.755246D+00
      5  -0.211427D+02 -0.381657D+01  0.136064D+02 -0.116204D+02  0.149242D+02
      6   0.318336D+01  0.165074D+01 -0.864063D+01  0.366552D+01 -0.914137D+01
                81            82            83            84            85 
      1  -0.246832D+01  0.369167D+01 -0.189486D+02  0.410575D+01 -0.191387D+02
      2  -0.192326D+01 -0.102173D+02  0.193127D+01 -0.110530D+02 -0.274320D+00
      3   0.439158D+01  0.652566D+01  0.170173D+02  0.694730D+01  0.194130D+02
      4   0.155007D+02 -0.128782D+02 -0.135538D+02 -0.496293D+01 -0.139081D+02
      5   0.374414D+01  0.609545D+00  0.818687D+00 -0.443590D+01 -0.159273D+01
      6  -0.238850D+00  0.705821D+01 -0.698044D+01  0.613722D+01 -0.653133D+01
                86            87            88            89            90 
      1  -0.254822D+01 -0.289003D+01  0.169527D+01 -0.407294D+01 -0.231799D+01
      2  -0.333535D+01  0.990542D+01 -0.115340D+02  0.766179D+01  0.141284D+02
      3   0.588357D+01 -0.701539D+01  0.983873D+01 -0.358885D+01 -0.118104D+02
      4  -0.486007D+01 -0.687434D+01 -0.853784D+01 -0.948277D+01  0.876704D+01
      5  -0.303866D+01  0.171791D+02 -0.605979D+01  0.148166D+02  0.919686D+01
      6  -0.102093D+01  0.525698D+01  0.663448D+01  0.587986D+01 -0.776968D+01
                91            92            93            94            95 
      1  -0.304757D+00 -0.627338D+00  0.986260D-01 -0.620375D+00 -0.479924D+01
      2  -0.397987D+01  0.124480D+01 -0.161216D+01  0.260319D+01 -0.926164D+00
      3   0.428462D+01 -0.617458D+00  0.151354D+01 -0.198282D+01  0.572540D+01
      4  -0.192879D+00  0.231171D+01  0.719376D+00  0.171217D+01  0.847981D-01
      5   0.183222D+01 -0.116201D+01  0.822341D+01 -0.298383D+01  0.228112D+01
      6  -0.785457D+00  0.115586D+01  0.578371D+00  0.279076D+01 -0.313696D+01
                96            97            98            99           100 
      1   0.772910D+01 -0.211196D+01  0.273296D+01 -0.213429D+02  0.621273D+00
      2   0.856560D+01 -0.195780D+01  0.446441D+01 -0.196087D+02  0.436577D+01
      3  -0.162947D+02  0.406976D+01 -0.719737D+01  0.409516D+02 -0.498704D+01
      4   0.192572D+01  0.703961D+00  0.184335D+01 -0.109577D+01  0.890239D+01
      5  -0.430418D+01  0.731377D+01 -0.894770D+00  0.853740D+01  0.513436D+01
      6   0.573927D+01 -0.136156D+00  0.603909D+01  0.258130D+00  0.558058D+01
               101           102           103           104           105 
      1  -0.318050D+01 -0.208407D+01 -0.311050D+01 -0.178482D+02 -0.711700D+01
      2   0.688237D+01  0.987136D+00  0.663721D+01  0.278806D+02  0.690782D+01
      3  -0.370187D+01  0.109693D+01 -0.352671D+01 -0.100324D+02  0.209187D+00
      4   0.119048D+02  0.432390D+01  0.114345D+02  0.151905D+02  0.507106D+01
      5   0.600043D+01  0.518360D+01  0.542991D+01  0.640620D+01  0.423150D+01
      6   0.737503D+01  0.552360D+01  0.640147D+01  0.211285D+02  0.129914D+02
               106           107           108           109           110 
      1  -0.229499D+01 -0.338908D+01 -0.592261D+01  0.198364D+01 -0.365157D+01
      2   0.271174D+00  0.213659D+01  0.158935D+01  0.911945D+01  0.154122D+02
      3   0.202382D+01  0.125249D+01  0.433326D+01 -0.111031D+02 -0.117606D+02
      4   0.147039D+01  0.227928D+01  0.292771D+01  0.219782D+02  0.202959D+02
      5   0.249182D+01  0.264389D+01  0.322044D+01 -0.255052D+00 -0.160625D+00
      6   0.347543D+01  0.839579D+01  0.576606D+01  0.172331D+01  0.122379D+01
               111           112           113           114           115 
      1  -0.133710D-01 -0.144783D+01 -0.569451D+01 -0.121385D+00 -0.812441D-01
      2  -0.190419D+00  0.823353D+01  0.155431D+02  0.346204D+00  0.854797D+00
      3   0.203790D+00 -0.678570D+01 -0.984857D+01 -0.224819D+00 -0.773553D+00
      4   0.366282D+00  0.129120D+02  0.126404D+02  0.185789D+00  0.265467D+01
      5   0.230604D+01 -0.241760D+00  0.172728D+00  0.101888D+01  0.284375D+01
      6   0.365580D+01  0.745340D+00  0.118471D+01  0.293918D+01  0.322090D+01
               116           117           118           119           120 
      1  -0.962069D+00 -0.124880D+01 -0.167927D+01 -0.162371D+01  0.379822D+01
      2   0.189644D+01  0.138357D+01  0.976053D+00  0.850563D+00 -0.122281D+01
      3  -0.934372D+00 -0.134763D+00  0.703217D+00  0.773146D+00 -0.257541D+01
      4   0.241659D+01  0.305589D+01  0.136033D+01  0.137616D+01  0.469929D-01
      5   0.194059D+01  0.592872D+00  0.107278D+01  0.749698D+00  0.860593D+00
      6   0.454826D+01  0.389657D+00 -0.129714D+01 -0.108179D+01  0.921597D+00
               121           122           123           124           125 
      1  -0.395527D+01 -0.837878D+01  0.809551D+01  0.649201D+01  0.834156D+01
      2   0.138216D+01  0.116199D+02 -0.517710D+01 -0.330754D+01 -0.609380D+01
      3   0.257311D+01 -0.324114D+01 -0.291841D+01 -0.318447D+01 -0.224777D+01
      4   0.690489D+01 -0.158586D+02  0.894141D+01 -0.320133D+01  0.107818D+02
      5  -0.113842D+01  0.941437D+01 -0.120155D+02  0.591002D+01 -0.109858D+02
      6   0.815293D+00 -0.109603D+02  0.112224D+02 -0.146164D+01  0.115247D+02
               126           127           128           129           130 
      1  -0.814240D+01  0.160350D+02 -0.451607D+01 -0.610361D+01 -0.573821D+01
      2   0.401618D+00 -0.697953D+01 -0.593334D+00  0.156511D+01 -0.660866D+00
      3   0.774079D+01 -0.905547D+01  0.510941D+01  0.453851D+01  0.639908D+01
      4  -0.103193D+02 -0.973881D+01  0.100892D+02  0.766525D+01  0.127829D+02
      5   0.143335D+02 -0.814224D+01  0.663090D+01  0.103305D+02  0.770037D+01
      6  -0.118745D+02  0.374443D+01 -0.244138D+01 -0.290008D+01 -0.356671D+01
               131           132           133           134           135 
      1   0.182943D+01  0.318655D+01 -0.133581D+02  0.415166D+01  0.325384D+01
      2   0.535273D+01  0.103771D+01  0.546736D+01  0.184954D+01 -0.291781D+01
      3  -0.718217D+01 -0.422426D+01  0.789071D+01 -0.600120D+01 -0.336030D+00
      4  -0.156647D+02 -0.816777D+01  0.136115D+02 -0.135543D+02 -0.114922D+02
      5  -0.726591D+01 -0.101311D+02  0.144349D+02 -0.109350D+02 -0.205340D+02
      6   0.563725D+01  0.750719D+01 -0.536064D+01  0.815622D+01  0.962605D+01
               136           137           138           139           140 
      1   0.443251D+02  0.110568D+02  0.105827D+02  0.233163D+02  0.803053D+01
      2  -0.259840D+02 -0.742091D+01 -0.857033D+01 -0.138765D+02 -0.403158D+01
      3  -0.183411D+02 -0.363591D+01 -0.201237D+01 -0.943981D+01 -0.399895D+01
      4   0.789831D+01  0.103658D+02  0.370648D+01  0.113001D+02  0.115326D+02
      5   0.154638D+02  0.562623D+01  0.129685D+02  0.102289D+02  0.509647D+01
      6   0.138575D+01  0.113298D+01  0.146589D+00  0.185918D+01  0.242931D+01
               141           142           143           144           145 
      1   0.622775D+01  0.125467D+02  0.431933D+01  0.695062D+01 -0.847360D+01
      2  -0.538305D+01 -0.983609D+01 -0.352066D+01 -0.656112D+01  0.707174D+01
      3  -0.844704D+00 -0.271060D+01 -0.798673D+00 -0.389505D+00  0.140186D+01
      4   0.390295D+01  0.381366D+01  0.409068D+01  0.120540D+01 -0.653215D+01
      5   0.705463D+01  0.138893D+02  0.246949D+01  0.958942D+01  0.793878D+01
      6   0.309202D+01  0.380680D+00  0.346320D+01  0.920588D+00 -0.629501D+01
               146           147           148           149           150 
      1   0.128828D+02 -0.832560D+01  0.100030D+02 -0.139288D+02  0.777683D+01
      2  -0.110477D+02  0.281362D+01 -0.747191D+01  0.161786D+02 -0.497490D+01
      3  -0.183506D+01  0.551198D+01 -0.253105D+01 -0.224982D+01 -0.280194D+01
      4   0.380548D+01 -0.561345D+00  0.642046D+01  0.224120D+00  0.599929D+00
      5  -0.305147D+01  0.193471D+01 -0.408289D+01  0.199027D+01 -0.164089D+01
      6   0.101598D+02 -0.893029D+01  0.596930D+01 -0.125229D+02  0.854512D+01
               151           152           153           154           155 
      1  -0.476570D+01  0.673977D+01 -0.713177D+01  0.200444D+02  0.855838D+01
      2   0.255423D+01 -0.387540D+01 -0.221103D+00 -0.152386D+01  0.594178D+01
      3   0.221147D+01 -0.286437D+01  0.735287D+01 -0.185205D+02 -0.145002D+02
      4  -0.919798D+00  0.115969D+01 -0.162288D+01  0.240653D+02  0.211111D+02
      5   0.398640D+01 -0.199497D+01 -0.213573D+00 -0.722815D+01 -0.477158D+01
      6  -0.506611D+01  0.748601D+01 -0.661253D+01 -0.401474D+01 -0.387907D+01
               156           157           158           159           160 
      1   0.173179D+01  0.909537D+01  0.143141D+01  0.164065D+01  0.530488D+01
      2   0.245688D+01  0.477733D+01  0.135388D+02  0.486529D+00  0.111976D+01
      3  -0.418867D+01 -0.138727D+02 -0.149702D+02 -0.212718D+01 -0.642465D+01
      4   0.269978D+00  0.196905D+02  0.219364D+02  0.693716D+00  0.635421D+01
      5   0.655994D+01 -0.489947D+01 -0.357553D+01  0.231062D+01  0.351537D+01
      6   0.373619D+01 -0.297636D+01 -0.587915D+01  0.429667D+01  0.197225D+01
               161           162           163           164           165 
      1   0.147255D+01  0.214865D+01  0.451505D+01  0.204864D+00 -0.300557D+01
      2   0.293972D+01 -0.747988D+00 -0.644023D+01  0.245738D+01  0.918885D+01
      3  -0.441227D+01 -0.140066D+01  0.192518D+01 -0.266224D+01 -0.618328D+01
      4   0.662980D+01  0.323434D+01  0.138433D+01  0.423312D+01  0.909665D-01
      5   0.939854D+00  0.121137D+01 -0.100863D+02  0.201485D+01  0.129163D+02
      6   0.221970D+01  0.252808D+01 -0.862586D+00 -0.112474D+01  0.777028D+00
               166           167           168           169           170 
      1  -0.164958D+01 -0.382536D+00 -0.172124D+01 -0.355116D+01  0.843038D+00
      2   0.489660D+01 -0.313962D+01 -0.949015D+01  0.106695D+02 -0.660947D+01
      3  -0.324702D+01  0.352216D+01  0.112114D+02 -0.711836D+01  0.576643D+01
      4   0.309785D+01 -0.386608D+01 -0.244643D+01 -0.695487D+00 -0.376431D+01
      5   0.685606D+01 -0.414925D+01 -0.111558D+02  0.147434D+02 -0.458661D+01
      6  -0.952131D+00  0.504842D+01  0.356928D+01  0.911003D+00  0.578032D+01
               171 
      1  -0.896582D+01
      2  -0.230306D+02
      3   0.319964D+02
      4  -0.133116D+01
      5  -0.259281D+02
      6  -0.383093D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 20:09:01 2021, MaxMem=  5637144576 cpu:           23806.2 elap:            3008.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.96993 -18.94171 -18.91173 -10.16395 -10.10647
 Alpha  occ. eigenvalues --  -10.09852 -10.07253 -10.04080 -10.03478  -1.19488
 Alpha  occ. eigenvalues --   -1.12450  -1.11360  -0.93516  -0.82925  -0.80385
 Alpha  occ. eigenvalues --   -0.79913  -0.69064  -0.66857  -0.63858  -0.60975
 Alpha  occ. eigenvalues --   -0.58782  -0.57219  -0.54648  -0.52587  -0.51674
 Alpha  occ. eigenvalues --   -0.49978  -0.49125  -0.48258  -0.47615  -0.45311
 Alpha  occ. eigenvalues --   -0.43949  -0.42645  -0.39790  -0.39404  -0.35687
 Alpha virt. eigenvalues --    0.02538   0.03491   0.03895   0.04477   0.05756
 Alpha virt. eigenvalues --    0.05795   0.06054   0.06516   0.06640   0.07724
 Alpha virt. eigenvalues --    0.08568   0.09991   0.10877   0.11749   0.12495
 Alpha virt. eigenvalues --    0.12805   0.12933   0.13445   0.13861   0.14165
 Alpha virt. eigenvalues --    0.14388   0.15414   0.15845   0.16208   0.16727
 Alpha virt. eigenvalues --    0.17798   0.18199   0.18358   0.18894   0.19509
 Alpha virt. eigenvalues --    0.19802   0.20261   0.20507   0.20999   0.23184
 Alpha virt. eigenvalues --    0.23906   0.24809   0.24944   0.25925   0.26431
 Alpha virt. eigenvalues --    0.27238   0.27915   0.28742   0.29148   0.29244
 Alpha virt. eigenvalues --    0.30092   0.31598   0.32390   0.32782   0.33236
 Alpha virt. eigenvalues --    0.33847   0.34079   0.34705   0.35206   0.35862
 Alpha virt. eigenvalues --    0.36753   0.36948   0.37560   0.38266   0.38902
 Alpha virt. eigenvalues --    0.39851   0.40466   0.41727   0.41765   0.42271
 Alpha virt. eigenvalues --    0.44001   0.44074   0.44400   0.45103   0.45680
 Alpha virt. eigenvalues --    0.46133   0.47267   0.47979   0.48335   0.49062
 Alpha virt. eigenvalues --    0.50616   0.50699   0.52268   0.52763   0.53979
 Alpha virt. eigenvalues --    0.54623   0.54695   0.56581   0.57149   0.57964
 Alpha virt. eigenvalues --    0.58585   0.59151   0.59319   0.60348   0.60957
 Alpha virt. eigenvalues --    0.62189   0.63110   0.64150   0.65402   0.66147
 Alpha virt. eigenvalues --    0.66720   0.67287   0.68869   0.69070   0.69773
 Alpha virt. eigenvalues --    0.70914   0.71465   0.72053   0.73818   0.74267
 Alpha virt. eigenvalues --    0.74920   0.75842   0.76162   0.77856   0.77918
 Alpha virt. eigenvalues --    0.78526   0.79084   0.80093   0.81869   0.83549
 Alpha virt. eigenvalues --    0.84070   0.84460   0.85303   0.85714   0.86606
 Alpha virt. eigenvalues --    0.87869   0.88932   0.90126   0.91848   0.92997
 Alpha virt. eigenvalues --    0.93434   0.95513   0.96571   0.96935   0.97897
 Alpha virt. eigenvalues --    0.99393   1.01024   1.02077   1.04781   1.06606
 Alpha virt. eigenvalues --    1.08196   1.09561   1.10213   1.11189   1.12753
 Alpha virt. eigenvalues --    1.14869   1.16243   1.17569   1.18390   1.20460
 Alpha virt. eigenvalues --    1.21561   1.23732   1.25041   1.26917   1.27657
 Alpha virt. eigenvalues --    1.28708   1.29814   1.31794   1.33979   1.34067
 Alpha virt. eigenvalues --    1.38555   1.40764   1.42817   1.45046   1.46034
 Alpha virt. eigenvalues --    1.48850   1.49705   1.51328   1.52633   1.55290
 Alpha virt. eigenvalues --    1.57184   1.58048   1.61030   1.61638   1.63531
 Alpha virt. eigenvalues --    1.64982   1.66523   1.68180   1.68777   1.70631
 Alpha virt. eigenvalues --    1.72068   1.72678   1.74840   1.76716   1.77718
 Alpha virt. eigenvalues --    1.78567   1.81043   1.82284   1.83136   1.83716
 Alpha virt. eigenvalues --    1.86051   1.86909   1.87389   1.90452   1.91237
 Alpha virt. eigenvalues --    1.91422   1.92141   1.97889   1.99960   2.01239
 Alpha virt. eigenvalues --    2.02972   2.04279   2.05614   2.10138   2.11015
 Alpha virt. eigenvalues --    2.11858   2.14691   2.15091   2.16622   2.17652
 Alpha virt. eigenvalues --    2.20188   2.21663   2.24034   2.25463   2.28275
 Alpha virt. eigenvalues --    2.29043   2.31988   2.33507   2.34868   2.36305
 Alpha virt. eigenvalues --    2.36847   2.38682   2.39541   2.42141   2.45372
 Alpha virt. eigenvalues --    2.47788   2.49229   2.50394   2.52587   2.54468
 Alpha virt. eigenvalues --    2.59414   2.60553   2.63836   2.65670   2.66929
 Alpha virt. eigenvalues --    2.70525   2.71354   2.73139   2.76783   2.78261
 Alpha virt. eigenvalues --    2.81540   2.86429   2.95246   2.96630   3.03520
 Alpha virt. eigenvalues --    3.07949   3.14509   3.25858   3.28067   3.32686
 Alpha virt. eigenvalues --    3.41584   3.43605   3.46354   3.46924   3.49353
 Alpha virt. eigenvalues --    3.50557   3.53357   3.57717   3.60103   3.62374
 Alpha virt. eigenvalues --    3.63176   3.72727   3.76833   3.84362   3.91961
 Alpha virt. eigenvalues --    4.08658   4.16578
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.643144  -0.110803  -0.070244  -0.022266   0.170452   0.015568
     2  C   -0.110803   7.382855   0.068686  -1.342710  -0.295237  -0.214115
     3  O   -0.070244   0.068686   8.390614   0.002933   0.097817   0.005377
     4  C   -0.022266  -1.342710   0.002933   8.163101  -1.025705   0.013816
     5  C    0.170452  -0.295237   0.097817  -1.025705   9.555129  -0.507967
     6  C    0.015568  -0.214115   0.005377   0.013816  -0.507967   5.430161
     7  O    0.015835   0.148660   0.009984  -0.316393  -0.105666   0.091455
     8  H    0.047851  -0.042342   0.028890  -0.625574   0.045542  -0.000932
     9  C   -0.034322  -0.200638   0.023373   0.274633  -0.659987  -0.049536
    10  C    0.038012   0.184480  -0.028927  -0.525461   0.302036  -0.275681
    11  H   -0.064573   0.049053  -0.009675   0.037112   0.380073  -0.226456
    12  H   -0.212392   0.011077  -0.003604   0.147620  -0.383597   0.298798
    13  H   -0.000719  -0.063572   0.003124   0.038864   0.024019  -0.022314
    14  H   -0.005030  -0.010768   0.000414  -0.057105   0.268210   0.046131
    15  H   -0.006484  -0.011738   0.000730  -0.000467  -0.009804   0.021510
    16  H    0.013811   0.006872   0.000903  -0.015120   0.037979  -0.084520
    17  H    0.014021  -0.101974   0.011172   0.028912   0.433298  -0.089155
    18  H   -0.002969  -0.011125  -0.002251  -0.101943   0.096795   0.056481
    19  H    0.000013   0.109167  -0.006660   0.071970  -0.249471  -0.021354
               7          8          9         10         11         12
     1  O    0.015835   0.047851  -0.034322   0.038012  -0.064573  -0.212392
     2  C    0.148660  -0.042342  -0.200638   0.184480   0.049053   0.011077
     3  O    0.009984   0.028890   0.023373  -0.028927  -0.009675  -0.003604
     4  C   -0.316393  -0.625574   0.274633  -0.525461   0.037112   0.147620
     5  C   -0.105666   0.045542  -0.659987   0.302036   0.380073  -0.383597
     6  C    0.091455  -0.000932  -0.049536  -0.275681  -0.226456   0.298798
     7  O    8.467816  -0.023118  -0.037961   0.021775  -0.037199   0.014010
     8  H   -0.023118   2.028526  -0.117798   0.168004   0.015767  -0.007075
     9  C   -0.037961  -0.117798   5.456628  -0.338042  -0.255088   0.129058
    10  C    0.021775   0.168004  -0.338042   5.201851   0.076687  -0.161805
    11  H   -0.037199   0.015767  -0.255088   0.076687   2.010048  -0.566513
    12  H    0.014010  -0.007075   0.129058  -0.161805  -0.566513   2.108448
    13  H    0.279616  -0.033732   0.007831  -0.011978   0.000710   0.001413
    14  H   -0.037672  -0.000352   0.076272  -0.060899  -0.028300   0.007047
    15  H    0.027879  -0.032086   0.278036  -0.075597  -0.007911   0.008278
    16  H    0.012870   0.002949   0.051130   0.118051  -0.012302  -0.007095
    17  H   -0.010897  -0.027985  -0.055097  -0.053385   0.021450  -0.057055
    18  H    0.001851   0.020182   0.099734   0.106163   0.018384  -0.042579
    19  H    0.013681  -0.023063  -0.023739   0.281042  -0.014805   0.024905
              13         14         15         16         17         18
     1  O   -0.000719  -0.005030  -0.006484   0.013811   0.014021  -0.002969
     2  C   -0.063572  -0.010768  -0.011738   0.006872  -0.101974  -0.011125
     3  O    0.003124   0.000414   0.000730   0.000903   0.011172  -0.002251
     4  C    0.038864  -0.057105  -0.000467  -0.015120   0.028912  -0.101943
     5  C    0.024019   0.268210  -0.009804   0.037979   0.433298   0.096795
     6  C   -0.022314   0.046131   0.021510  -0.084520  -0.089155   0.056481
     7  O    0.279616  -0.037672   0.027879   0.012870  -0.010897   0.001851
     8  H   -0.033732  -0.000352  -0.032086   0.002949  -0.027985   0.020182
     9  C    0.007831   0.076272   0.278036   0.051130  -0.055097   0.099734
    10  C   -0.011978  -0.060899  -0.075597   0.118051  -0.053385   0.106163
    11  H    0.000710  -0.028300  -0.007911  -0.012302   0.021450   0.018384
    12  H    0.001413   0.007047   0.008278  -0.007095  -0.057055  -0.042579
    13  H    0.638579   0.005391  -0.002919   0.001907  -0.001923  -0.000990
    14  H    0.005391   1.899710  -0.429436  -0.448152  -0.026754   0.018948
    15  H   -0.002919  -0.429436   1.751335  -0.399089   0.019647   0.002088
    16  H    0.001907  -0.448152  -0.399089   1.811207   0.007417  -0.047910
    17  H   -0.001923  -0.026754   0.019647   0.007417   1.878342  -0.426658
    18  H   -0.000990   0.018948   0.002088  -0.047910  -0.426658   1.958304
    19  H    0.001831   0.010846  -0.039545   0.030904  -0.436753  -0.512936
              19
     1  O    0.000013
     2  C    0.109167
     3  O   -0.006660
     4  C    0.071970
     5  C   -0.249471
     6  C   -0.021354
     7  O    0.013681
     8  H   -0.023063
     9  C   -0.023739
    10  C    0.281042
    11  H   -0.014805
    12  H    0.024905
    13  H    0.001831
    14  H    0.010846
    15  H   -0.039545
    16  H    0.030904
    17  H   -0.436753
    18  H   -0.512936
    19  H    1.996710
 Mulliken charges:
               1
     1  O   -0.428905
     2  C    0.444171
     3  O   -0.522657
     4  C    1.253783
     5  C   -2.173916
     6  C    1.512732
     7  O   -0.536526
     8  H   -0.423654
     9  C    1.375514
    10  C    1.033674
    11  H   -0.386461
    12  H   -0.308938
    13  H    0.134863
    14  H   -0.228501
    15  H   -0.094427
    16  H   -0.081813
    17  H   -0.126625
    18  H   -0.229570
    19  H   -0.212742
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.428905
     2  C    0.444171
     3  O   -0.522657
     4  C    0.830128
     5  C   -2.173916
     6  C    0.817333
     7  O   -0.401663
     9  C    0.970773
    10  C    0.464736
 Electronic spatial extent (au):  <R**2>=           1088.2277
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6110    Y=              0.2266    Z=              0.2401  Tot=              3.6260
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.2029   YY=            -53.7137   ZZ=            -53.0140
   XY=              5.6680   XZ=             -0.5591   YZ=              0.9581
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.8927   YY=              2.5965   ZZ=              3.2962
   XY=              5.6680   XZ=             -0.5591   YZ=              0.9581
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.0795  YYY=              5.4315  ZZZ=             -2.8269  XYY=              9.1859
  XXY=              8.4107  XXZ=             -5.8919  XZZ=              0.1645  YZZ=              1.5348
  YYZ=              1.2623  XYZ=             -2.8805
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -832.5706 YYYY=           -382.1787 ZZZZ=           -254.7144 XXXY=             16.1075
 XXXZ=            -14.7396 YYYX=             29.7077 YYYZ=              5.5096 ZZZX=              0.0127
 ZZZY=              5.4159 XXYY=           -177.1312 XXZZ=           -173.8601 YYZZ=           -109.1279
 XXYZ=              0.0669 YYXZ=              4.9533 ZZXY=             -0.4881
 N-N= 4.970319268020D+02 E-N=-2.068616300268D+03  KE= 4.567840329665D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 20:09:02 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.38050933D+00 1.20939964D-01 9.20778122D-02
 Polarizability= 8.73560390D+01 2.37664587D+00 7.40382106D+01
                 4.08341163D+00 1.01509089D+00 7.13563145D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.1139   -2.1135        1.0225    1.0223
 2      2.1139    2.1135       -0.6681   -0.6685       -7.0587   -7.0586
 3     -1.0225   -1.0223        8.5035    8.5033        0.6686    0.6685
 4      0.6681    0.6685        0.0000    0.0000       -1.0235   -1.0223
 5     -1.4448   -1.4447        1.0235    1.0223       -2.1131   -2.1135
 6     -0.6686   -0.6685        2.1131    2.1135       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.3405    6.3405        3.0669    3.0669
 2      2.0055    2.0055        0.0000    0.0000        3.0669    3.0669
 3      2.0055    2.0055        6.3405    6.3405       -0.0000    0.0000
 4      6.3405    6.3405       -2.0055   -2.0055      -21.1757  -21.1757
 5     -3.0669   -3.0669       25.5098   25.5098        2.0055    2.0055
 6     -4.3341   -4.3341        3.0669    3.0669       -6.3405   -6.3405
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0106    0.0000        8.4537    8.4540       -4.0678   -4.0892
 2     -8.4608   -8.4540        2.6561    2.6740       28.2252   28.2342
 3      4.0883    4.0892      -33.9895  -34.0130       -2.6523   -2.6740
 4     -2.6620   -2.6740        0.0032    0.0000        4.0838    4.0892
 5      5.7604    5.7788       -4.0802   -4.0892        8.4764    8.4540
 6      2.6787    2.6740       -8.4381   -8.4540       -0.0048    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0544    0.0000       -6.1669   -6.1629      -14.3528  -14.3223
 2      6.1700    6.1629        1.6242    1.6108       -7.1844   -7.1413
 3     14.2959   14.3223      -25.2963  -25.2962       -1.5529   -1.6108
 4     -1.5938   -1.6108        0.0050    0.0000       14.3670   14.3223
 5     32.3931   32.4376      -14.3197  -14.3223       -6.1793   -6.1629
 6      1.5538    1.6108        6.1465    6.1629       -0.0271    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.6656    5.7057       -6.3355   -6.3116       27.1188   27.1341
 2      5.9638    5.9261      -10.1693  -10.1551       27.1386   27.1341
 3      5.9188    5.9261       -6.3261   -6.3116       41.1198   41.1085
 4      3.8830    3.8435       -0.2385   -0.2204      -18.1945  -18.1984
 5     13.9522   13.9744      -29.9129  -29.9534        0.2868    0.2204
 6     48.1524   48.1519      -13.9568  -13.9744       -3.7978   -3.8435
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5123   -3.5133   -0.0002    0.0004    0.0006    7.4972
 Low frequencies ---   79.8270  183.5030  209.6441
 Diagonal vibrational polarizability:
       11.1112142      31.7701491      20.4269910
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.8238               183.5024               209.6440
 Red. masses --      5.3286                 3.6827                 1.1920
 Frc consts  --      0.0200                 0.0731                 0.0309
 IR Inten    --      3.4978                 0.6266                 0.1246
 RamAct Fr= 1--      0.6879                 0.5996                 0.1590
  Dep-P Fr= 1--      0.7498                 0.7246                 0.7142
  Dep-U Fr= 1--      0.8570                 0.8403                 0.8333
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0983                 0.0840                 0.0221
 AlphaG Fr= 1--      0.0002                -0.0035                -0.0005
 Gamma2 Fr= 1--     -0.1009                 0.1479                 0.0890
 Delta2 Fr= 1--     -0.0561                -0.0318                 0.0152
 Raman1 Fr= 1--       2.752                  2.399                  0.636
 ROA1   Fr= 1--     -11.477                 13.181                  9.032
 CID1   Fr= 1--      -4.171                  5.495                 14.197
 Raman2 Fr= 1--       1.179                  1.008                  0.265
 ROA2   Fr= 1--      -1.972                  3.803                  2.015
 CID2   Fr= 1--      -1.672                  3.774                  7.602
 Raman3 Fr= 1--       2.358                  2.015                  0.530
 ROA3   Fr= 1--     -11.477                 13.181                  9.032
 CID3   Fr= 1--      -4.867                  6.540                 17.037
 RC180  Fr= 1--       0.714                  0.681                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.11   0.06    -0.06  -0.17   0.23     0.02   0.00  -0.00
     2   6     0.03   0.01  -0.07    -0.01  -0.01   0.05     0.01   0.00   0.00
     3   8     0.08   0.19  -0.26     0.02   0.16  -0.09     0.00   0.02   0.01
     4   6     0.01  -0.08   0.06    -0.01   0.01   0.01    -0.01  -0.02  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02   0.02  -0.01     0.00  -0.02  -0.01
     6   6    -0.00  -0.15   0.07     0.03   0.11  -0.03     0.01  -0.01  -0.01
     7   8    -0.01   0.05   0.27     0.05  -0.05  -0.08    -0.04  -0.03  -0.02
     8   1     0.03  -0.25   0.09    -0.04   0.07  -0.00    -0.02  -0.01  -0.00
     9   6     0.08   0.04  -0.16    -0.02   0.06   0.10     0.04   0.06   0.05
    10   6    -0.19   0.06   0.02    -0.00  -0.12  -0.14    -0.03  -0.03  -0.03
    11   1    -0.01  -0.25   0.01     0.31   0.27   0.05     0.02  -0.01  -0.01
    12   1     0.00  -0.17   0.17    -0.10   0.21  -0.27     0.03  -0.02  -0.02
    13   1     0.03  -0.03   0.28     0.11  -0.13  -0.17    -0.06   0.01  -0.01
    14   1     0.20  -0.03  -0.20    -0.03   0.20   0.23    -0.07  -0.26  -0.30
    15   1     0.05   0.14  -0.24    -0.03  -0.09   0.20     0.43   0.47  -0.02
    16   1     0.07   0.07  -0.18    -0.02   0.12  -0.01    -0.22   0.08   0.55
    17   1    -0.25   0.02   0.13    -0.03  -0.24  -0.31    -0.01   0.04   0.07
    18   1    -0.20   0.09  -0.02    -0.08  -0.00  -0.20     0.06  -0.10  -0.10
    19   1    -0.24   0.14  -0.05     0.10  -0.25  -0.02    -0.17  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    218.4362               250.2513               278.6421
 Red. masses --      2.8721                 1.2778                 2.6334
 Frc consts  --      0.0807                 0.0472                 0.1205
 IR Inten    --      1.3322                 1.3949                13.9168
 RamAct Fr= 1--      0.2000                 0.2777                 0.4013
  Dep-P Fr= 1--      0.7381                 0.7426                 0.7130
  Dep-U Fr= 1--      0.8493                 0.8523                 0.8325
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0283                 0.0395                 0.0557
 AlphaG Fr= 1--     -0.0009                 0.0005                 0.0002
 Gamma2 Fr= 1--     -0.1540                 0.0196                 0.0240
 Delta2 Fr= 1--      0.0494                 0.0586                -0.1716
 Raman1 Fr= 1--       0.800                  1.111                  1.605
 ROA1   Fr= 1--     -13.200                  3.757                 -3.189
 CID1   Fr= 1--     -16.498                  3.381                 -1.987
 Raman2 Fr= 1--       0.340                  0.473                  0.668
 ROA2   Fr= 1--      -4.090                  0.002                  1.949
 CID2   Fr= 1--     -12.037                  0.004                  2.917
 Raman3 Fr= 1--       0.680                  0.947                  1.336
 ROA3   Fr= 1--     -13.200                  3.757                 -3.189
 CID3   Fr= 1--     -19.425                  3.967                 -2.386
 RC180  Fr= 1--       0.699                  0.705                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.14   0.10     0.01  -0.03   0.02    -0.02   0.05  -0.04
     2   6    -0.02  -0.03  -0.03     0.01   0.01  -0.02    -0.07  -0.00   0.03
     3   8    -0.02  -0.08  -0.01    -0.01  -0.03   0.03    -0.07   0.11   0.01
     4   6     0.00   0.06  -0.05     0.00   0.02  -0.03    -0.04  -0.02   0.02
     5   6     0.01   0.04  -0.06     0.01   0.00  -0.02    -0.04   0.00  -0.03
     6   6     0.00   0.04  -0.05     0.01  -0.04  -0.00    -0.04  -0.02  -0.02
     7   8    -0.01   0.15   0.11    -0.08   0.06   0.02     0.25  -0.02   0.04
     8   1     0.00  -0.05  -0.03     0.01  -0.02  -0.03    -0.11  -0.04   0.02
     9   6    -0.07  -0.08  -0.05     0.02   0.02  -0.00    -0.10  -0.08  -0.03
    10   6     0.18   0.05  -0.01     0.04   0.00  -0.02     0.05   0.01   0.01
    11   1     0.16   0.10  -0.02     0.01  -0.08  -0.03    -0.08  -0.06  -0.04
    12   1    -0.11   0.10  -0.15     0.01  -0.05   0.04    -0.00  -0.04   0.04
    13   1    -0.04   0.17   0.21    -0.12   0.13   0.07     0.39  -0.30   0.01
    14   1    -0.20  -0.21  -0.23     0.01  -0.03  -0.06    -0.22  -0.28  -0.26
    15   1     0.02   0.08  -0.11     0.11   0.09  -0.01     0.05   0.15  -0.10
    16   1    -0.09  -0.18   0.17    -0.03   0.03   0.09    -0.16  -0.18   0.27
    17   1     0.33   0.33   0.14    -0.09  -0.35  -0.41     0.03  -0.13  -0.21
    18   1     0.41  -0.23  -0.01    -0.33   0.35   0.18    -0.12   0.14   0.17
    19   1    -0.06   0.04  -0.10     0.55   0.01   0.17     0.34   0.02   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    310.0365               349.9609               367.2846
 Red. masses --      2.2932                 2.3697                 2.3850
 Frc consts  --      0.1299                 0.1710                 0.1896
 IR Inten    --      3.0351                 4.1394                 1.1630
 RamAct Fr= 1--      1.2343                 1.1827                 0.6278
  Dep-P Fr= 1--      0.6445                 0.3025                 0.5915
  Dep-U Fr= 1--      0.7838                 0.4645                 0.7433
 Alpha2 Fr= 1--      0.0023                 0.0120                 0.0019
 Beta2  Fr= 1--      0.1612                 0.0916                 0.0778
 AlphaG Fr= 1--      0.0088                -0.0029                -0.0095
 Gamma2 Fr= 1--      0.2311                 0.2198                -0.1701
 Delta2 Fr= 1--      0.0842                 0.1760                -0.0579
 Raman1 Fr= 1--       4.937                  4.731                  2.511
 ROA1   Fr= 1--      24.882                 26.736                -18.183
 CID1   Fr= 1--       5.040                  5.651                 -7.241
 Raman2 Fr= 1--       1.935                  1.099                  0.933
 ROA2   Fr= 1--       4.873                  3.867                 -3.620
 CID2   Fr= 1--       2.518                  3.520                 -3.878
 Raman3 Fr= 1--       3.870                  2.197                  1.867
 ROA3   Fr= 1--      24.882                 26.736                -18.183
 CID3   Fr= 1--       6.430                 12.167                 -9.741
 RC180  Fr= 1--       0.568                 -0.071                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.03   0.02     0.06  -0.02   0.00     0.05  -0.06  -0.04
     2   6     0.06  -0.01   0.02     0.05   0.02  -0.03    -0.01  -0.05  -0.01
     3   8     0.09  -0.07  -0.07     0.04  -0.03   0.02    -0.04   0.08   0.04
     4   6     0.04   0.01   0.07     0.04   0.04  -0.07    -0.03  -0.10  -0.03
     5   6     0.01   0.02   0.07     0.02   0.02  -0.06    -0.01  -0.06  -0.07
     6   6     0.03   0.17   0.00     0.04  -0.08  -0.00     0.06   0.06  -0.14
     7   8    -0.04  -0.04  -0.02     0.07   0.08  -0.01    -0.03  -0.10   0.02
     8   1     0.07   0.06   0.06     0.02   0.00  -0.06    -0.06  -0.15  -0.02
     9   6    -0.06  -0.14  -0.07    -0.12  -0.08   0.16    -0.00   0.01   0.06
    10   6    -0.11   0.03   0.04    -0.15   0.06  -0.07     0.01   0.15   0.10
    11   1     0.12   0.38   0.13     0.02  -0.19  -0.08     0.19   0.26  -0.02
    12   1    -0.03   0.24  -0.23     0.07  -0.11   0.11     0.04   0.11  -0.38
    13   1    -0.04   0.02  -0.11    -0.04   0.20   0.27    -0.14   0.04   0.25
    14   1    -0.17  -0.32  -0.29    -0.39   0.05   0.20    -0.03   0.12   0.15
    15   1    -0.09   0.06  -0.21    -0.05  -0.26   0.30     0.07  -0.10   0.16
    16   1     0.01  -0.33   0.13    -0.10  -0.16   0.24    -0.05   0.09   0.02
    17   1    -0.22  -0.14   0.00    -0.25  -0.03   0.06    -0.02   0.16   0.21
    18   1    -0.25   0.20   0.05    -0.17   0.14  -0.19    -0.08   0.13   0.36
    19   1     0.02   0.08   0.06    -0.24   0.10  -0.14     0.13   0.42  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    377.1064               469.7915               543.6895
 Red. masses --      1.2292                 3.9103                 3.6256
 Frc consts  --      0.1030                 0.5085                 0.6314
 IR Inten    --    121.7275                 1.3797                 4.7780
 RamAct Fr= 1--      0.7868                 1.5233                 1.0377
  Dep-P Fr= 1--      0.7331                 0.5817                 0.2408
  Dep-U Fr= 1--      0.8460                 0.7355                 0.3881
 Alpha2 Fr= 1--      0.0002                 0.0048                 0.0126
 Beta2  Fr= 1--      0.1109                 0.1867                 0.0671
 AlphaG Fr= 1--      0.0011                -0.0088                -0.0138
 Gamma2 Fr= 1--      0.0605                 0.0298                -0.5264
 Delta2 Fr= 1--      0.0466                 0.1677                -0.2680
 Raman1 Fr= 1--       3.147                  6.093                  4.151
 ROA1   Fr= 1--       7.297                  8.231                -59.113
 CID1   Fr= 1--       2.318                  1.351                -14.241
 Raman2 Fr= 1--       1.331                  2.241                  0.806
 ROA2   Fr= 1--       1.079                 -0.626                -10.490
 CID2   Fr= 1--       0.810                 -0.279                -13.022
 Raman3 Fr= 1--       2.663                  4.482                  1.611
 ROA3   Fr= 1--       7.297                  8.231                -59.113
 CID3   Fr= 1--       2.740                  1.837                -36.692
 RC180  Fr= 1--       0.692                  0.471                 -0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.01    -0.04  -0.10  -0.06     0.00  -0.11  -0.09
     2   6    -0.00   0.00   0.02    -0.05   0.03  -0.15     0.04  -0.08  -0.09
     3   8     0.01   0.01  -0.03    -0.15   0.08   0.10    -0.04   0.13   0.12
     4   6    -0.01  -0.00   0.02     0.08   0.05  -0.10     0.15  -0.07   0.03
     5   6    -0.01   0.01   0.02     0.07  -0.09   0.12     0.07   0.18   0.07
     6   6    -0.02   0.01   0.02    -0.04   0.06  -0.01    -0.08   0.04   0.08
     7   8     0.05  -0.06  -0.06     0.08   0.14  -0.03    -0.07  -0.13   0.03
     8   1    -0.03   0.04   0.01     0.27   0.01  -0.10     0.40  -0.14   0.04
     9   6     0.00   0.01  -0.03     0.17  -0.10   0.02    -0.05   0.01  -0.01
    10   6     0.02  -0.03  -0.00    -0.11  -0.12   0.10     0.05   0.09  -0.12
    11   1    -0.04  -0.01   0.02    -0.01   0.31   0.15    -0.12  -0.09   0.01
    12   1    -0.02   0.01   0.04    -0.13   0.14  -0.25    -0.23   0.07   0.30
    13   1    -0.36   0.46   0.78     0.04   0.14   0.16    -0.14   0.06  -0.09
    14   1     0.03  -0.02  -0.05     0.31  -0.17  -0.01    -0.24  -0.04  -0.11
    15   1    -0.03   0.05  -0.06     0.12   0.00  -0.07    -0.23  -0.01  -0.09
    16   1     0.01   0.00  -0.04     0.18  -0.07  -0.03     0.14  -0.27   0.05
    17   1     0.04  -0.02  -0.05    -0.23  -0.24   0.21     0.05   0.06  -0.20
    18   1     0.03  -0.04  -0.01    -0.14   0.00  -0.07     0.10   0.12  -0.31
    19   1     0.03  -0.08   0.03    -0.21  -0.11   0.06    -0.02  -0.10  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    579.6519               688.2170               751.1844
 Red. masses --      4.0426                 7.8432                 7.2719
 Frc consts  --      0.8003                 2.1887                 2.4177
 IR Inten    --      3.9117                 7.7938                 9.0921
 RamAct Fr= 1--      7.9943                 2.9469                 4.4525
  Dep-P Fr= 1--      0.0662                 0.7427                 0.0611
  Dep-U Fr= 1--      0.1242                 0.8523                 0.1151
 Alpha2 Fr= 1--      0.1519                 0.0004                 0.0857
 Beta2  Fr= 1--      0.1655                 0.4186                 0.0854
 AlphaG Fr= 1--     -0.0279                -0.0039                -0.0088
 Gamma2 Fr= 1--     -0.0624                 0.4733                 1.0450
 Delta2 Fr= 1--     -0.0487                 0.0288                 0.3282
 Raman1 Fr= 1--      31.977                 11.787                 17.810
 ROA1   Fr= 1--      -7.553                 46.360                110.824
 CID1   Fr= 1--      -0.236                  3.933                  6.223
 Raman2 Fr= 1--       1.986                  5.023                  1.025
 ROA2   Fr= 1--      -1.109                 11.129                 22.454
 CID2   Fr= 1--      -0.559                  2.215                 21.908
 Raman3 Fr= 1--       3.971                 10.047                  2.050
 ROA3   Fr= 1--      -7.553                 46.360                110.824
 CID3   Fr= 1--      -1.902                  4.614                 54.065
 RC180  Fr= 1--      -0.752                  0.705                 -0.770
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11   0.07   0.04     0.28  -0.13  -0.15     0.00   0.08   0.20
     2   6    -0.14   0.01   0.10    -0.23  -0.18   0.05    -0.08   0.41  -0.37
     3   8    -0.10  -0.02  -0.09    -0.24  -0.06  -0.19    -0.19  -0.15  -0.02
     4   6    -0.02   0.04   0.11    -0.13   0.13   0.14     0.08  -0.06   0.00
     5   6     0.19   0.01  -0.05     0.03   0.15   0.14    -0.01   0.01   0.02
     6   6     0.00  -0.02  -0.04     0.34  -0.02   0.09     0.19  -0.00   0.05
     7   8    -0.03  -0.06  -0.00    -0.01   0.06  -0.04     0.04  -0.20   0.05
     8   1    -0.16   0.09   0.10     0.03   0.25   0.11     0.44  -0.30   0.05
     9   6     0.25  -0.16   0.08    -0.07   0.08   0.01    -0.05   0.04  -0.01
    10   6     0.04   0.13  -0.14    -0.00  -0.00   0.05    -0.00   0.01  -0.01
    11   1    -0.06  -0.15  -0.12     0.33   0.01   0.11     0.22  -0.04   0.01
    12   1    -0.07  -0.02   0.14     0.20   0.05   0.10     0.31  -0.05   0.02
    13   1    -0.06   0.02  -0.02    -0.02   0.05   0.04    -0.00  -0.13   0.05
    14   1     0.06  -0.12   0.07    -0.10   0.05  -0.03    -0.11   0.04  -0.03
    15   1     0.25  -0.26   0.14    -0.15   0.10  -0.04    -0.09   0.02  -0.02
    16   1     0.30  -0.28   0.15     0.00  -0.02   0.02    -0.01  -0.02   0.01
    17   1    -0.11   0.01   0.05    -0.01  -0.08  -0.09     0.04   0.05  -0.04
    18   1    -0.04   0.27  -0.22     0.04   0.06  -0.18     0.01  -0.02   0.02
    19   1    -0.03   0.26  -0.24    -0.06  -0.26   0.18     0.02  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    823.7417               896.1400               921.0452
 Red. masses --      3.1326                 4.6541                 2.3121
 Frc consts  --      1.2524                 2.2021                 1.1556
 IR Inten    --      5.7539                11.0102                14.4445
 RamAct Fr= 1--     10.6962                 4.6481                 2.6250
  Dep-P Fr= 1--      0.0452                 0.1249                 0.5251
  Dep-U Fr= 1--      0.0864                 0.2220                 0.6886
 Alpha2 Fr= 1--      0.2137                 0.0765                 0.0115
 Beta2  Fr= 1--      0.1541                 0.1720                 0.3013
 AlphaG Fr= 1--      0.1451                 0.0362                -0.0058
 Gamma2 Fr= 1--      0.0036                -0.9752                 0.0520
 Delta2 Fr= 1--     -0.0802                -0.4747                -0.4333
 Raman1 Fr= 1--      42.785                 18.592                 10.500
 ROA1   Fr= 1--      -2.218               -108.810                 -8.872
 CID1   Fr= 1--      -0.052                 -5.852                 -0.845
 Raman2 Fr= 1--       1.849                  2.064                  3.615
 ROA2   Fr= 1--       0.729                -19.608                  4.715
 CID2   Fr= 1--       0.394                 -9.499                  1.304
 Raman3 Fr= 1--       3.698                  4.128                  7.230
 ROA3   Fr= 1--      -2.218               -108.810                 -8.872
 CID3   Fr= 1--      -0.600                -26.358                 -1.227
 RC180  Fr= 1--      -0.827                 -0.556                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.01  -0.02    -0.02   0.19   0.09     0.00  -0.04  -0.05
     2   6     0.04   0.01  -0.07    -0.12  -0.21   0.13     0.00   0.03  -0.03
     3   8     0.02  -0.03   0.00    -0.10   0.03  -0.07    -0.01   0.00   0.01
     4   6    -0.19  -0.05  -0.14     0.26  -0.14  -0.20     0.09   0.08   0.20
     5   6    -0.06  -0.04   0.02    -0.01  -0.07  -0.04    -0.07  -0.12   0.00
     6   6    -0.02   0.08   0.27     0.05   0.02   0.16    -0.02  -0.06   0.05
     7   8     0.01  -0.00   0.01    -0.02   0.06   0.01     0.02   0.02  -0.03
     8   1    -0.34  -0.09  -0.13     0.49  -0.24  -0.20     0.26   0.16   0.19
     9   6     0.07  -0.07   0.02    -0.05   0.00  -0.04    -0.05  -0.06  -0.02
    10   6     0.02   0.11  -0.11     0.00  -0.00  -0.03    -0.00   0.05  -0.13
    11   1    -0.06   0.32   0.43     0.06   0.19   0.26    -0.04   0.18   0.20
    12   1    -0.06   0.14   0.04     0.27  -0.03  -0.09    -0.02  -0.02  -0.22
    13   1     0.10  -0.28   0.20    -0.08   0.23  -0.11    -0.05   0.24  -0.16
    14   1     0.18  -0.05   0.09    -0.06   0.09   0.04     0.22  -0.00   0.12
    15   1     0.20  -0.07   0.08     0.11  -0.05   0.07     0.23   0.01   0.07
    16   1    -0.04   0.07   0.01    -0.17   0.13  -0.01    -0.33   0.32  -0.08
    17   1     0.08   0.14  -0.23     0.00   0.01   0.02     0.10   0.20  -0.11
    18   1     0.07   0.08  -0.16    -0.00  -0.03   0.04    -0.01  -0.08   0.18
    19   1     0.04   0.02  -0.06     0.04   0.08  -0.07     0.15   0.23  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    946.4418               967.7559               993.1853
 Red. masses --      1.8478                 1.3905                 1.5088
 Frc consts  --      0.9752                 0.7673                 0.8769
 IR Inten    --      5.9654                 1.8178                 8.6242
 RamAct Fr= 1--      2.9174                 1.6586                 1.0021
  Dep-P Fr= 1--      0.7411                 0.7460                 0.3666
  Dep-U Fr= 1--      0.8513                 0.8545                 0.5365
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0083
 Beta2  Fr= 1--      0.4139                 0.2362                 0.0896
 AlphaG Fr= 1--      0.0041                 0.0006                -0.0054
 Gamma2 Fr= 1--      0.1804                 0.0872                -0.1931
 Delta2 Fr= 1--      0.8030                 0.0744                -0.1315
 Raman1 Fr= 1--      11.670                  6.634                  4.008
 ROA1   Fr= 1--      43.020                 10.753                -22.742
 CID1   Fr= 1--       3.687                  1.621                 -5.674
 Raman2 Fr= 1--       4.967                  2.835                  1.075
 ROA2   Fr= 1--      -2.093                  1.497                 -3.582
 CID2   Fr= 1--      -0.421                  0.528                 -3.331
 Raman3 Fr= 1--       9.934                  5.669                  2.150
 ROA3   Fr= 1--      43.020                 10.753                -22.742
 CID3   Fr= 1--       4.331                  1.897                -10.575
 RC180  Fr= 1--       0.703                  0.709                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.03  -0.02    -0.00  -0.00   0.00     0.04  -0.00   0.03
     2   6     0.01   0.00  -0.03    -0.00   0.01   0.00    -0.00  -0.04  -0.02
     3   8    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.01   0.03   0.04    -0.01   0.01  -0.02    -0.01  -0.05   0.00
     5   6     0.07   0.00  -0.12     0.07  -0.05   0.02    -0.08   0.02   0.02
     6   6     0.02   0.12   0.10    -0.00   0.02   0.01     0.01   0.11  -0.03
     7   8     0.00  -0.01  -0.00    -0.00  -0.02   0.01     0.00   0.04  -0.02
     8   1    -0.07   0.02   0.04    -0.07   0.01  -0.02     0.15  -0.04  -0.00
     9   6    -0.00   0.01  -0.10    -0.11   0.01   0.02     0.02  -0.04   0.09
    10   6    -0.01  -0.12   0.04     0.12  -0.02  -0.02    -0.04  -0.03  -0.07
    11   1    -0.04  -0.14  -0.05    -0.03  -0.03  -0.01     0.01  -0.30  -0.28
    12   1    -0.18   0.16   0.45    -0.03   0.02   0.08     0.03   0.03   0.42
    13   1    -0.01   0.02  -0.03     0.00  -0.04   0.02     0.02  -0.03   0.04
    14   1    -0.30   0.24   0.04     0.26  -0.10   0.02     0.33  -0.23  -0.00
    15   1     0.33  -0.24   0.21    -0.13   0.25  -0.14    -0.17   0.18  -0.14
    16   1    -0.17   0.09   0.11    -0.16   0.20  -0.18     0.10  -0.03  -0.10
    17   1    -0.06  -0.09   0.25    -0.25  -0.33   0.40     0.09   0.18   0.02
    18   1    -0.11  -0.11   0.27    -0.10   0.34  -0.24    -0.08  -0.17   0.34
    19   1     0.06   0.19  -0.11    -0.13   0.25  -0.27     0.16   0.26  -0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1033.8928              1038.1729              1087.4922
 Red. masses --      1.7100                 7.3739                 3.7495
 Frc consts  --      1.0770                 4.6826                 2.6126
 IR Inten    --     24.7673                91.4600                80.3640
 RamAct Fr= 1--      2.0184                 0.8198                 1.6614
  Dep-P Fr= 1--      0.6271                 0.7320                 0.4183
  Dep-U Fr= 1--      0.7708                 0.8453                 0.5899
 Alpha2 Fr= 1--      0.0045                 0.0003                 0.0115
 Beta2  Fr= 1--      0.2593                 0.1155                 0.1633
 AlphaG Fr= 1--     -0.0070                 0.0047                 0.0252
 Gamma2 Fr= 1--     -0.7681                 0.1243                 0.4433
 Delta2 Fr= 1--     -0.1320                -0.1934                 0.5629
 Raman1 Fr= 1--       8.073                  3.279                  6.645
 ROA1   Fr= 1--     -77.960                  5.741                 60.570
 CID1   Fr= 1--      -9.656                  1.751                  9.114
 Raman2 Fr= 1--       3.111                  1.386                  1.960
 ROA2   Fr= 1--     -17.378                  4.530                  6.136
 CID2   Fr= 1--      -5.585                  3.268                  3.130
 Raman3 Fr= 1--       6.223                  2.772                  3.920
 ROA3   Fr= 1--     -77.960                  5.741                 60.570
 CID3   Fr= 1--     -12.528                  2.071                 15.451
 RC180  Fr= 1--       0.542                  0.691                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.00   0.01     0.41  -0.00   0.13    -0.07  -0.03  -0.08
     2   6    -0.02   0.04   0.01    -0.10   0.05   0.07    -0.00   0.01   0.07
     3   8    -0.02  -0.02  -0.01    -0.07  -0.05  -0.08     0.02   0.01   0.00
     4   6    -0.00  -0.07   0.05     0.11   0.16  -0.10     0.04   0.29  -0.20
     5   6     0.05  -0.04  -0.00    -0.03   0.03  -0.05    -0.01   0.01  -0.01
     6   6    -0.09  -0.05   0.04    -0.42   0.07  -0.11     0.08  -0.05   0.06
     7   8     0.00   0.05  -0.04     0.00  -0.13   0.09     0.00  -0.18   0.14
     8   1    -0.11  -0.03   0.04     0.04   0.09  -0.07    -0.09   0.30  -0.18
     9   6     0.02   0.12   0.01     0.02  -0.09  -0.03     0.02   0.03   0.07
    10   6     0.01  -0.06  -0.06    -0.01  -0.00   0.06    -0.06  -0.08  -0.07
    11   1    -0.03   0.20   0.20    -0.15  -0.01  -0.15     0.05   0.10   0.15
    12   1    -0.08  -0.01  -0.22    -0.36   0.04   0.00    -0.01   0.02  -0.15
    13   1     0.03  -0.02   0.03    -0.10   0.18  -0.14    -0.07   0.05  -0.08
    14   1    -0.34   0.03  -0.18     0.14   0.01   0.10     0.04  -0.13  -0.08
    15   1    -0.34  -0.00  -0.08     0.28  -0.08   0.08    -0.27   0.13  -0.12
    16   1     0.34  -0.34   0.10    -0.18   0.17  -0.03     0.20  -0.12  -0.05
    17   1    -0.01   0.03   0.18    -0.02  -0.06  -0.05     0.07   0.16   0.07
    18   1    -0.09  -0.07   0.23     0.02   0.03  -0.11    -0.11  -0.25   0.40
    19   1     0.11   0.31  -0.24    -0.09  -0.16   0.12     0.17   0.24  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1165.1679              1193.1153              1211.5288
 Red. masses --      1.8237                 2.0792                 1.4269
 Frc consts  --      1.4587                 1.7438                 1.2340
 IR Inten    --     79.2410                65.0355                 5.0833
 RamAct Fr= 1--      3.6975                 3.0716                 2.1023
  Dep-P Fr= 1--      0.6485                 0.7417                 0.6579
  Dep-U Fr= 1--      0.7868                 0.8517                 0.7936
 Alpha2 Fr= 1--      0.0067                 0.0004                 0.0035
 Beta2  Fr= 1--      0.4849                 0.4360                 0.2781
 AlphaG Fr= 1--     -0.0133                -0.0075                -0.0071
 Gamma2 Fr= 1--     -0.6535                -1.1891                 1.1105
 Delta2 Fr= 1--      0.2314                -1.1730                 0.9625
 Raman1 Fr= 1--      14.790                 12.286                  8.409
 ROA1   Fr= 1--     -55.333               -151.691                137.406
 CID1   Fr= 1--      -3.741                -12.346                 16.340
 Raman2 Fr= 1--       5.818                  5.232                  3.337
 ROA2   Fr= 1--     -17.535                -19.154                 18.951
 CID2   Fr= 1--      -3.014                 -3.661                  5.679
 Raman3 Fr= 1--      11.637                 10.464                  6.674
 ROA3   Fr= 1--     -55.333               -151.691                137.406
 CID3   Fr= 1--      -4.755                -14.496                 20.589
 RC180  Fr= 1--       0.574                  0.703                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.05   0.06    -0.00  -0.05  -0.04    -0.00   0.05  -0.02
     2   6     0.02  -0.13  -0.09    -0.04   0.14   0.16    -0.00   0.02   0.01
     3   8     0.02   0.01   0.02     0.02  -0.02  -0.02     0.02  -0.00   0.00
     4   6    -0.08   0.09   0.00    -0.01  -0.04  -0.07    -0.03  -0.03   0.00
     5   6    -0.02   0.03   0.11     0.05  -0.10   0.10    -0.00   0.12  -0.03
     6   6    -0.04  -0.02  -0.04     0.04   0.01  -0.06    -0.01  -0.10   0.03
     7   8    -0.02  -0.02   0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.02
     8   1     0.46   0.26  -0.03     0.58   0.07  -0.09     0.24  -0.10   0.01
     9   6     0.03   0.00  -0.07    -0.02   0.02  -0.04    -0.00  -0.05   0.01
    10   6     0.03  -0.03  -0.04    -0.02   0.04  -0.03    -0.00  -0.04   0.00
    11   1     0.02  -0.02  -0.05    -0.26   0.00  -0.05     0.61  -0.02   0.04
    12   1     0.29  -0.15  -0.14    -0.35   0.14   0.23    -0.60   0.19  -0.17
    13   1     0.10  -0.40   0.31     0.10  -0.36   0.28     0.03  -0.11   0.08
    14   1    -0.18   0.16   0.02    -0.13   0.10  -0.00     0.15  -0.04   0.07
    15   1     0.17  -0.17   0.11     0.03  -0.06   0.04     0.10   0.04   0.01
    16   1    -0.05  -0.01   0.13    -0.09   0.05   0.05    -0.06   0.07  -0.05
    17   1    -0.03  -0.02   0.15     0.05   0.09  -0.11    -0.01  -0.01   0.10
    18   1    -0.08   0.07   0.04     0.04  -0.04  -0.02    -0.05  -0.02   0.09
    19   1     0.03   0.18  -0.16     0.05   0.00   0.01     0.01   0.05  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1245.9290              1283.4839              1294.1981
 Red. masses --      2.1819                 2.1176                 1.6661
 Frc consts  --      1.9956                 2.0553                 1.6442
 IR Inten    --     32.7523                15.6401                 4.9932
 RamAct Fr= 1--      2.2183                 2.5473                 3.7195
  Dep-P Fr= 1--      0.5229                 0.6232                 0.7497
  Dep-U Fr= 1--      0.6868                 0.7678                 0.8569
 Alpha2 Fr= 1--      0.0098                 0.0059                 0.0000
 Beta2  Fr= 1--      0.2539                 0.3260                 0.5312
 AlphaG Fr= 1--     -0.0023                 0.0285                 0.0008
 Gamma2 Fr= 1--      0.4827                -0.3807                -0.9362
 Delta2 Fr= 1--      0.2253                -0.1563                -0.0649
 Raman1 Fr= 1--       8.873                 10.189                 14.878
 ROA1   Fr= 1--      53.549                -41.551                -91.951
 CID1   Fr= 1--       6.035                 -4.078                 -6.180
 Raman2 Fr= 1--       3.047                  3.912                  6.375
 ROA2   Fr= 1--       9.783                 -7.886                -21.949
 CID2   Fr= 1--       3.211                 -2.016                 -3.443
 Raman3 Fr= 1--       6.094                  7.824                 12.750
 ROA3   Fr= 1--      53.549                -41.551                -91.951
 CID3   Fr= 1--       8.788                 -5.311                 -7.212
 RC180  Fr= 1--       0.374                  0.536                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.04   0.04    -0.00  -0.03  -0.01    -0.00   0.03  -0.00
     2   6     0.02  -0.06  -0.07    -0.01   0.06   0.05     0.01  -0.02  -0.03
     3   8    -0.03   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.00   0.00
     4   6     0.04   0.00   0.00    -0.01  -0.07  -0.05     0.03  -0.02  -0.03
     5   6     0.25  -0.03   0.04     0.03   0.19   0.17    -0.06  -0.11   0.17
     6   6    -0.02  -0.02  -0.02     0.01  -0.04  -0.05     0.01   0.01  -0.03
     7   8    -0.03   0.01  -0.01     0.02   0.00  -0.00     0.02  -0.00   0.03
     8   1    -0.45   0.23  -0.04    -0.35  -0.32  -0.01    -0.41   0.18  -0.07
     9   6    -0.09  -0.01   0.00    -0.01  -0.06  -0.06     0.02   0.03  -0.06
    10   6    -0.10   0.02  -0.02    -0.01  -0.06  -0.06     0.02   0.03  -0.03
    11   1     0.06   0.02   0.00    -0.33   0.13   0.07     0.49  -0.24  -0.21
    12   1    -0.12   0.03   0.01     0.23  -0.12  -0.12    -0.32   0.13   0.13
    13   1     0.08  -0.33   0.25    -0.06   0.23  -0.18    -0.07   0.27  -0.20
    14   1     0.08   0.01   0.06     0.07   0.16   0.18    -0.16   0.12  -0.02
    15   1    -0.03   0.19  -0.09     0.26  -0.03   0.06    -0.01  -0.17   0.06
    16   1    -0.19   0.20  -0.14    -0.20   0.11   0.06    -0.04  -0.04   0.18
    17   1     0.12   0.24  -0.19     0.05   0.13   0.18     0.02   0.04  -0.03
    18   1     0.08  -0.27   0.15    -0.13  -0.04   0.21    -0.01   0.08  -0.07
    19   1     0.20  -0.10   0.17     0.13   0.17  -0.13    -0.00   0.06  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1332.5114              1384.7115              1406.6120
 Red. masses --      1.6185                 1.3790                 1.3765
 Frc consts  --      1.6932                 1.5579                 1.6046
 IR Inten    --     22.0033                10.5004                11.7436
 RamAct Fr= 1--      2.3103                 0.6257                 1.4400
  Dep-P Fr= 1--      0.6797                 0.7303                 0.7314
  Dep-U Fr= 1--      0.8093                 0.8441                 0.8448
 Alpha2 Fr= 1--      0.0029                 0.0002                 0.0005
 Beta2  Fr= 1--      0.3116                 0.0880                 0.2028
 AlphaG Fr= 1--     -0.0001                 0.0037                 0.0009
 Gamma2 Fr= 1--     -2.1490                -0.2548                 0.9344
 Delta2 Fr= 1--     -0.5137                -0.5943                 0.5656
 Raman1 Fr= 1--       9.241                  2.503                  5.760
 ROA1   Fr= 1--    -222.746                -43.478                107.801
 CID1   Fr= 1--     -24.104                -17.371                 18.716
 Raman2 Fr= 1--       3.740                  1.056                  2.433
 ROA2   Fr= 1--     -47.468                 -1.360                 17.901
 CID2   Fr= 1--     -12.693                 -1.287                  7.357
 Raman3 Fr= 1--       7.479                  2.113                  4.866
 ROA3   Fr= 1--    -222.746                -43.478                107.801
 CID3   Fr= 1--     -29.782                -20.578                 22.153
 RC180  Fr= 1--       0.619                  0.688                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.03  -0.03     0.02   0.04   0.05     0.01   0.01   0.02
     2   6    -0.01   0.06   0.03     0.02  -0.05  -0.06     0.00  -0.03  -0.01
     3   8    -0.02  -0.01  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
     4   6     0.14  -0.09   0.01    -0.06  -0.06  -0.00     0.08   0.07   0.01
     5   6    -0.09   0.07  -0.03    -0.01   0.02  -0.03    -0.07  -0.01   0.01
     6   6     0.00   0.01   0.02     0.07  -0.06  -0.06     0.04  -0.02  -0.03
     7   8    -0.04   0.01   0.01     0.02  -0.00   0.03    -0.02   0.00  -0.03
     8   1    -0.31   0.75  -0.15     0.11   0.51  -0.12    -0.24  -0.37   0.10
     9   6     0.01  -0.02  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    10   6     0.03  -0.02   0.01     0.01   0.00  -0.01     0.05   0.06  -0.07
    11   1     0.04  -0.04  -0.01    -0.46   0.29   0.20    -0.18   0.10   0.06
    12   1     0.16  -0.05  -0.08    -0.41   0.13   0.20    -0.22   0.08   0.12
    13   1     0.08  -0.34   0.26    -0.06   0.26  -0.19     0.06  -0.26   0.19
    14   1     0.07  -0.02   0.02     0.02  -0.00   0.01     0.04  -0.03  -0.03
    15   1     0.08  -0.04   0.04    -0.01   0.03  -0.01    -0.01  -0.09   0.05
    16   1     0.01  -0.03   0.01     0.02  -0.02   0.00     0.02  -0.05   0.07
    17   1    -0.03  -0.06   0.08    -0.03  -0.02   0.07    -0.24  -0.20   0.27
    18   1    -0.05   0.07   0.01    -0.02  -0.00   0.06    -0.04  -0.09   0.40
    19   1    -0.07   0.00  -0.04    -0.01  -0.06   0.02    -0.16  -0.37   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.7829              1438.3100              1488.4390
 Red. masses --      1.3100                 1.2851                 1.0477
 Frc consts  --      1.5340                 1.5664                 1.3676
 IR Inten    --      2.9727                 6.2536                 1.8055
 RamAct Fr= 1--      0.4773                 0.8574                 3.3424
  Dep-P Fr= 1--      0.4356                 0.4391                 0.7363
  Dep-U Fr= 1--      0.6068                 0.6103                 0.8481
 Alpha2 Fr= 1--      0.0031                 0.0055                 0.0008
 Beta2  Fr= 1--      0.0483                 0.0872                 0.4725
 AlphaG Fr= 1--      0.0029                -0.0050                -0.0055
 Gamma2 Fr= 1--      0.3928                 0.3907                 0.6086
 Delta2 Fr= 1--      0.2202                 0.2924                 0.2596
 Raman1 Fr= 1--       1.909                  3.430                 13.369
 ROA1   Fr= 1--      44.753                 46.865                 66.735
 CID1   Fr= 1--      23.441                 13.664                  4.992
 Raman2 Fr= 1--       0.579                  1.047                  5.670
 ROA2   Fr= 1--       7.665                  7.037                 12.530
 CID2   Fr= 1--      13.232                  6.725                  2.210
 Raman3 Fr= 1--       1.159                  2.093                 11.339
 ROA3   Fr= 1--      44.753                 46.865                 66.735
 CID3   Fr= 1--      38.629                 22.391                  5.885
 RC180  Fr= 1--       0.214                  0.221                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01     0.01   0.01   0.02     0.00   0.00   0.00
     2   6    -0.00   0.02   0.01     0.00  -0.03  -0.02     0.00  -0.00  -0.00
     3   8     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.05  -0.03  -0.01     0.05   0.05   0.01    -0.00   0.00   0.00
     5   6     0.05  -0.01   0.00    -0.04  -0.00   0.00     0.00   0.01  -0.01
     6   6    -0.03   0.02   0.02     0.04  -0.02  -0.02     0.01   0.00   0.01
     7   8     0.01  -0.00   0.01    -0.02   0.00  -0.02    -0.00  -0.00  -0.00
     8   1     0.13   0.15  -0.05    -0.17  -0.21   0.07     0.01   0.00  -0.00
     9   6    -0.11   0.06  -0.03    -0.06   0.04  -0.02     0.01  -0.01  -0.04
    10   6    -0.00   0.04  -0.04    -0.01  -0.06   0.07    -0.01   0.03   0.02
    11   1     0.13  -0.08  -0.06    -0.22   0.07   0.05    -0.06  -0.05  -0.02
    12   1     0.14  -0.05  -0.07    -0.22   0.08   0.04    -0.02   0.02  -0.09
    13   1    -0.03   0.14  -0.10     0.04  -0.17   0.12     0.00  -0.01   0.01
    14   1     0.47  -0.11   0.01     0.32  -0.09  -0.02     0.27   0.22   0.28
    15   1     0.34  -0.13   0.28     0.21  -0.13   0.20    -0.29   0.02  -0.17
    16   1     0.26  -0.41   0.05     0.18  -0.28   0.06    -0.16  -0.11   0.49
    17   1    -0.14  -0.09   0.15     0.22   0.15  -0.27    -0.18  -0.32  -0.19
    18   1     0.05  -0.14   0.17    -0.03   0.16  -0.32     0.27  -0.30  -0.01
    19   1     0.04  -0.19   0.12     0.01   0.34  -0.17     0.02   0.21  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1491.3312              1507.8031              1513.7035
 Red. masses --      1.0472                 1.0626                 1.0637
 Frc consts  --      1.3722                 1.4233                 1.4359
 IR Inten    --      2.8447                 7.5161                14.2884
 RamAct Fr= 1--      3.0501                 6.7481                 0.6548
  Dep-P Fr= 1--      0.7005                 0.7458                 0.7064
  Dep-U Fr= 1--      0.8239                 0.8544                 0.8279
 Alpha2 Fr= 1--      0.0026                 0.0005                 0.0005
 Beta2  Fr= 1--      0.4188                 0.9610                 0.0904
 AlphaG Fr= 1--      0.0059                -0.0009                 0.0015
 Gamma2 Fr= 1--      0.1566                -0.9329                 0.1407
 Delta2 Fr= 1--      0.0464                -0.7884                 0.2228
 Raman1 Fr= 1--      12.201                 26.993                  2.619
 ROA1   Fr= 1--      16.518               -114.782                 20.640
 CID1   Fr= 1--       1.354                 -4.252                  7.880
 Raman2 Fr= 1--       5.026                 11.531                  1.084
 ROA2   Fr= 1--       3.387                -16.082                  1.594
 CID2   Fr= 1--       0.674                 -1.395                  1.471
 Raman3 Fr= 1--      10.052                 23.063                  2.168
 ROA3   Fr= 1--      16.518               -114.782                 20.640
 CID3   Fr= 1--       1.643                 -4.977                  9.518
 RC180  Fr= 1--       0.648                  0.709                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.02   0.01
     5   6    -0.01   0.01  -0.01    -0.04   0.01   0.03    -0.03  -0.03  -0.03
     6   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.01
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.06  -0.02   0.01    -0.00  -0.03   0.02
     9   6     0.02   0.03  -0.00    -0.00  -0.01   0.02    -0.01  -0.03  -0.02
    10   6    -0.03  -0.01  -0.02    -0.02   0.03   0.00    -0.02  -0.01  -0.02
    11   1    -0.07  -0.04  -0.02    -0.09  -0.07  -0.04     0.07   0.07   0.04
    12   1    -0.02   0.02  -0.07    -0.07   0.04  -0.08     0.00  -0.02   0.12
    13   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.03   0.03
    14   1     0.17  -0.25  -0.21    -0.27  -0.02  -0.08    -0.00   0.36   0.35
    15   1    -0.28  -0.39   0.11     0.28   0.14   0.05     0.07   0.37  -0.21
    16   1    -0.21   0.18   0.19     0.17   0.01  -0.36     0.13  -0.26   0.13
    17   1    -0.03   0.15   0.37    -0.26  -0.29   0.08     0.05   0.24   0.36
    18   1     0.07   0.02  -0.28     0.37  -0.33  -0.22    -0.06   0.16  -0.23
    19   1     0.45  -0.04   0.19     0.35   0.22   0.02     0.32  -0.14   0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1520.9857              1844.7831              3032.7339
 Red. masses --      1.0873                12.5553                 1.0354
 Frc consts  --      1.4820                25.1749                 5.6107
 IR Inten    --      2.6033               401.2521                12.8896
 RamAct Fr= 1--      4.3085                23.0357                42.7678
  Dep-P Fr= 1--      0.6684                 0.2697                 0.0224
  Dep-U Fr= 1--      0.8013                 0.4249                 0.0439
 Alpha2 Fr= 1--      0.0062                 0.2582                 0.9017
 Beta2  Fr= 1--      0.5754                 1.6312                 0.3127
 AlphaG Fr= 1--     -0.0221                 0.1842                 0.0382
 Gamma2 Fr= 1--     -0.4143                 1.0142                 1.5311
 Delta2 Fr= 1--      0.0927                 0.9503                 1.0985
 Raman1 Fr= 1--      17.234                 92.143                171.071
 ROA1   Fr= 1--     -36.809                127.778                182.134
 CID1   Fr= 1--      -2.136                  1.387                  1.065
 Raman2 Fr= 1--       6.904                 19.575                  3.753
 ROA2   Fr= 1--     -10.685                 16.739                 27.958
 CID2   Fr= 1--      -1.548                  0.855                  7.449
 Raman3 Fr= 1--      13.809                 39.150                  7.506
 ROA3   Fr= 1--     -36.809                127.778                182.134
 CID3   Fr= 1--      -2.666                  3.264                 24.265
 RC180  Fr= 1--       0.603                 -0.150                 -0.912
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01    -0.03   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.01   0.01   0.01     0.79   0.02   0.23     0.00   0.00   0.00
     3   8     0.01  -0.00   0.00    -0.50  -0.03  -0.15    -0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.00   0.00   0.01
     5   6    -0.01   0.01   0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.06    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.02   0.00     0.15  -0.09   0.04    -0.00  -0.02  -0.09
     9   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    10   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01   0.03  -0.03
    11   1     0.38   0.50   0.26     0.09   0.03  -0.02     0.00  -0.01   0.01
    12   1     0.19  -0.21   0.60    -0.00  -0.06  -0.00     0.01   0.01   0.00
    13   1     0.00  -0.01   0.01     0.01  -0.06   0.01     0.00  -0.00  -0.00
    14   1     0.04  -0.07  -0.06    -0.00   0.01   0.00    -0.04  -0.09   0.09
    15   1    -0.02  -0.09   0.05     0.01  -0.00   0.01     0.07  -0.10  -0.16
    16   1    -0.02   0.03   0.01    -0.00  -0.00   0.01     0.18   0.15   0.09
    17   1    -0.06  -0.11  -0.04    -0.01   0.00   0.03     0.46  -0.32   0.14
    18   1     0.11  -0.11  -0.06    -0.00   0.01  -0.01    -0.38  -0.31  -0.17
    19   1     0.06   0.11  -0.03     0.02   0.01   0.00    -0.16   0.26   0.42
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.9689              3048.9822              3061.5810
 Red. masses --      1.0393                 1.0840                 1.0601
 Frc consts  --      5.6513                 5.9372                 5.8545
 IR Inten    --     21.1158                33.0752                27.6090
 RamAct Fr= 1--    206.1468               102.2968               182.3791
  Dep-P Fr= 1--      0.0213                 0.1060                 0.0482
  Dep-U Fr= 1--      0.0418                 0.1918                 0.0920
 Alpha2 Fr= 1--      4.3577                 1.7647                 3.6178
 Beta2  Fr= 1--      1.4359                 3.2694                 2.7970
 AlphaG Fr= 1--      0.4354                 0.0212                -0.7178
 Gamma2 Fr= 1--     -4.2290                 1.4240                -4.4587
 Delta2 Fr= 1--     -2.4950                 0.7594                 3.9797
 Raman1 Fr= 1--     824.587                409.187                729.516
 ROA1   Fr= 1--    -485.825                161.003               -300.682
 CID1   Fr= 1--      -0.589                  0.393                 -0.412
 Raman2 Fr= 1--      17.231                 39.233                 33.563
 ROA2   Fr= 1--     -81.536                 28.100               -138.846
 CID2   Fr= 1--      -4.732                  0.716                 -4.137
 Raman3 Fr= 1--      34.463                 78.466                 67.127
 ROA3   Fr= 1--    -485.825                161.003               -300.682
 CID3   Fr= 1--     -14.097                  2.052                 -4.479
 RC180  Fr= 1--      -0.916                 -0.616                 -0.816
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.08     0.00   0.00   0.01
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.02   0.00  -0.07
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   1    -0.00   0.03   0.14     0.01   0.19   0.96    -0.00  -0.02  -0.08
     9   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.00
    10   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00  -0.00   0.00
    11   1    -0.00   0.04  -0.06     0.00  -0.04   0.06     0.04  -0.47   0.72
    12   1    -0.02  -0.04  -0.00     0.03   0.06   0.01     0.20   0.45   0.05
    13   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.09  -0.24   0.25     0.01   0.03  -0.03    -0.00  -0.01   0.01
    15   1     0.18  -0.25  -0.42    -0.02   0.02   0.04     0.03  -0.03  -0.05
    16   1     0.48   0.41   0.24    -0.05  -0.04  -0.02     0.04   0.03   0.02
    17   1    -0.17   0.12  -0.05     0.07  -0.05   0.02    -0.04   0.03  -0.01
    18   1     0.12   0.10   0.05    -0.08  -0.07  -0.03     0.01   0.01   0.00
    19   1     0.06  -0.09  -0.14    -0.01   0.02   0.03     0.01  -0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.8927              3096.7778              3102.7623
 Red. masses --      1.1008                 1.1017                 1.1023
 Frc consts  --      6.2040                 6.2251                 6.2523
 IR Inten    --     11.0639                22.5410                28.9349
 RamAct Fr= 1--     37.0573                47.4874                72.5179
  Dep-P Fr= 1--      0.7134                 0.6756                 0.7387
  Dep-U Fr= 1--      0.8328                 0.8064                 0.8497
 Alpha2 Fr= 1--      0.0234                 0.0625                 0.0140
 Beta2  Fr= 1--      5.1433                 6.3822                10.2696
 AlphaG Fr= 1--      0.0177                -0.0205                -0.0074
 Gamma2 Fr= 1--      6.5187                -0.3874                 2.1882
 Delta2 Fr= 1--      4.9663                -2.5732                 1.3640
 Raman1 Fr= 1--     148.229                189.950                290.072
 ROA1   Fr= 1--     784.716               -119.538                253.714
 CID1   Fr= 1--       5.294                 -0.629                  0.875
 Raman2 Fr= 1--      61.720                 76.587                123.235
 ROA2   Fr= 1--     116.719                 11.287                 41.604
 CID2   Fr= 1--       1.891                  0.147                  0.338
 Raman3 Fr= 1--     123.439                153.174                246.470
 ROA3   Fr= 1--     784.716               -119.538                253.714
 CID3   Fr= 1--       6.357                 -0.780                  1.029
 RC180  Fr= 1--       0.666                  0.613                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.01   0.05
     9   6    -0.02  -0.06  -0.06     0.00   0.00   0.00    -0.00  -0.02  -0.01
    10   6    -0.00   0.02   0.02    -0.09   0.03  -0.00    -0.02  -0.06  -0.06
    11   1    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.04   0.07
    12   1     0.01   0.03   0.00     0.00   0.00   0.00    -0.04  -0.10  -0.01
    13   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.02   0.06  -0.09    -0.00  -0.01   0.01     0.01   0.02  -0.03
    15   1    -0.27   0.34   0.58     0.02  -0.03  -0.05    -0.07   0.09   0.15
    16   1     0.45   0.37   0.21    -0.02  -0.02  -0.01     0.12   0.10   0.06
    17   1     0.05  -0.03   0.02     0.61  -0.44   0.20    -0.02   0.00  -0.02
    18   1    -0.11  -0.09  -0.04     0.34   0.30   0.15     0.49   0.39   0.19
    19   1     0.07  -0.10  -0.17     0.11  -0.20  -0.33    -0.22   0.34   0.56
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3117.7164              3129.9267              3780.5682
 Red. masses --      1.1076                 1.0995                 1.0663
 Frc consts  --      6.3432                 6.3464                 8.9794
 IR Inten    --     18.3509                15.3012                47.1106
 RamAct Fr= 1--     73.5166                54.9069                94.6245
  Dep-P Fr= 1--      0.5621                 0.6703                 0.1901
  Dep-U Fr= 1--      0.7196                 0.8026                 0.3195
 Alpha2 Fr= 1--      0.2621                 0.0777                 1.3189
 Beta2  Fr= 1--      8.8175                 7.3446                 5.0392
 AlphaG Fr= 1--      0.1059                -0.0955                 0.4582
 Gamma2 Fr= 1--      4.0968               -11.0726                 4.0535
 Delta2 Fr= 1--      2.8052                -6.4327                -0.6316
 Raman1 Fr= 1--     294.067                219.627                378.498
 ROA1   Fr= 1--     483.062              -1268.813                368.928
 CID1   Fr= 1--       1.643                 -5.777                  0.975
 Raman2 Fr= 1--     105.810                 88.135                 60.470
 ROA2   Fr= 1--      75.883               -214.280                102.337
 CID2   Fr= 1--       0.717                 -2.431                  1.692
 Raman3 Fr= 1--     211.621                176.270                120.941
 ROA3   Fr= 1--     483.062              -1268.813                368.928
 CID3   Fr= 1--       2.283                 -7.198                  3.050
 RC180  Fr= 1--       0.439                  0.605                 -0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
     8   1     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     9   6     0.00   0.01  -0.01     0.04   0.05  -0.07     0.00   0.00  -0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.02   0.24  -0.40     0.00  -0.04   0.07    -0.00   0.00  -0.00
    12   1     0.34   0.78   0.12    -0.04  -0.09  -0.01     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.89   0.43   0.17
    14   1    -0.03  -0.08   0.08    -0.21  -0.62   0.64     0.00  -0.00   0.00
    15   1    -0.02   0.02   0.03    -0.11   0.17   0.25    -0.00   0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.15  -0.12  -0.09     0.00   0.00   0.00
    17   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.08   0.06   0.03    -0.01  -0.01  -0.00     0.00   0.00   0.00
    19   1    -0.03   0.04   0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   727.011211206.344911436.23905
           X            0.99953   0.02996  -0.00641
           Y           -0.03014   0.99909  -0.03012
           Z            0.00550   0.03030   0.99953
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11914     0.07180     0.06031
 Rotational constants (GHZ):           2.48241     1.49604     1.25657
 Zero-point vibrational energy     416296.8 (Joules/Mol)
                                   99.49733 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.85   264.02   301.63   314.28   360.06
          (Kelvin)            400.90   446.07   503.52   528.44   542.57
                              675.93   782.25   833.99   990.19  1080.79
                             1185.18  1289.35  1325.18  1361.72  1392.38
                             1428.97  1487.54  1493.70  1564.66  1676.42
                             1716.63  1743.12  1792.61  1846.65  1862.06
                             1917.19  1992.29  2023.80  2028.36  2069.41
                             2141.53  2145.69  2169.39  2177.88  2188.36
                             2654.23  4363.43  4370.96  4386.81  4404.93
                             4449.98  4455.57  4464.18  4485.70  4503.27
                             5439.39
 
 Zero-point correction=                           0.158559 (Hartree/Particle)
 Thermal correction to Energy=                    0.167578
 Thermal correction to Enthalpy=                  0.168522
 Thermal correction to Gibbs Free Energy=         0.125282
 Sum of electronic and zero-point Energies=           -460.395085
 Sum of electronic and thermal Energies=              -460.386067
 Sum of electronic and thermal Enthalpies=            -460.385123
 Sum of electronic and thermal Free Energies=         -460.428362
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.156             34.174             91.005
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.623
 Vibrational            103.379             28.212             21.880
 Vibration     1          0.600              1.963              3.895
 Vibration     2          0.631              1.862              2.292
 Vibration     3          0.642              1.826              2.047
 Vibration     4          0.646              1.813              1.972
 Vibration     5          0.663              1.762              1.729
 Vibration     6          0.679              1.713              1.542
 Vibration     7          0.699              1.655              1.362
 Vibration     8          0.727              1.575              1.166
 Vibration     9          0.740              1.540              1.091
 Vibration    10          0.748              1.519              1.051
 Vibration    11          0.827              1.317              0.738
 Vibration    12          0.899              1.154              0.557
 Vibration    13          0.936              1.075              0.486
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.236654D-57        -57.625885       -132.688505
 Total V=0       0.202381D+16         15.306170         35.243758
 Vib (Bot)       0.101033D-70        -70.995535       -163.473261
 Vib (Bot)    1  0.258005D+01          0.411627          0.947807
 Vib (Bot)    2  0.109320D+01          0.038701          0.089113
 Vib (Bot)    3  0.947532D+00         -0.023406         -0.053895
 Vib (Bot)    4  0.906135D+00         -0.042807         -0.098567
 Vib (Bot)    5  0.779809D+00         -0.108012         -0.248706
 Vib (Bot)    6  0.690488D+00         -0.160844         -0.370357
 Vib (Bot)    7  0.609891D+00         -0.214747         -0.494474
 Vib (Bot)    8  0.527213D+00         -0.278014         -0.640150
 Vib (Bot)    9  0.496605D+00         -0.303989         -0.699960
 Vib (Bot)   10  0.480422D+00         -0.318377         -0.733090
 Vib (Bot)   11  0.359103D+00         -0.444781         -1.024146
 Vib (Bot)   12  0.290389D+00         -0.537020         -1.236535
 Vib (Bot)   13  0.262977D+00         -0.580083         -1.335690
 Vib (V=0)       0.864012D+02          1.936520          4.459002
 Vib (V=0)    1  0.312805D+01          0.495273          1.140409
 Vib (V=0)    2  0.170212D+01          0.230991          0.531875
 Vib (V=0)    3  0.157136D+01          0.196276          0.451943
 Vib (V=0)    4  0.153493D+01          0.186089          0.428485
 Vib (V=0)    5  0.142634D+01          0.154222          0.355110
 Vib (V=0)    6  0.135251D+01          0.131141          0.301962
 Vib (V=0)    7  0.128865D+01          0.110135          0.253595
 Vib (V=0)    8  0.122660D+01          0.088704          0.204250
 Vib (V=0)    9  0.120471D+01          0.080883          0.186239
 Vib (V=0)   10  0.119340D+01          0.076787          0.176807
 Vib (V=0)   11  0.111559D+01          0.047506          0.109386
 Vib (V=0)   12  0.107821D+01          0.032703          0.075301
 Vib (V=0)   13  0.106494D+01          0.027325          0.062918
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.401759D+06          5.603965         12.903607
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 333333333                                       1      1111111111111111 111                                   
     7                 111000000                                       8      5554444433222211 00099998  8 7 6   55  4333322221      
     8                 310996433                                       4      2109831083984196 83396429  2 5 8   84  7765175118   8  
     1                 083732983                                       5      1481880753436235 78438616  4 1 8   04  0770090804   0  
 
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000006397   -0.000008211   -0.000009308
      2        6           0.000012749    0.000009556    0.000007637
      3        8           0.000000733   -0.000001253    0.000001695
      4        6           0.000002007    0.000002439   -0.000002158
      5        6          -0.000007822   -0.000021516    0.000012119
      6        6          -0.000015533    0.000007155    0.000001297
      7        8          -0.000009814   -0.000002999   -0.000007863
      8        1          -0.000003633   -0.000000214   -0.000001295
      9        6          -0.000000410   -0.000005760    0.000000999
     10        6           0.000004665   -0.000002906    0.000007077
     11        1           0.000003889    0.000000172   -0.000002462
     12        1          -0.000000168   -0.000000853    0.000003972
     13        1           0.000000738   -0.000000030   -0.000000129
     14        1           0.000002706    0.000010061    0.000001354
     15        1          -0.000003097    0.000000945    0.000001028
     16        1           0.000000820   -0.000000660   -0.000000890
     17        1           0.000005043    0.000008163   -0.000010454
     18        1           0.000000758    0.000001185   -0.000001486
     19        1          -0.000000030    0.000004725   -0.000001134
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021516 RMS     0.000006184
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942490D+02  0.204460D+01  0.422702D+01
      2   0.204460D+01  0.801319D+02  0.133699D+01
      3   0.422702D+01  0.133699D+01  0.772425D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380528D+01  0.100997D+02  0.436630D+01
      2   0.422260D+01  0.737595D+01 -0.271442D+02
      3  -0.105292D+02  0.287549D+02 -0.884283D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.341251D+02  0.435315D+01  0.157902D+02
      2   0.199154D+02  0.144876D+01 -0.253183D+02
      3   0.142097D+02 -0.580192D+01  0.952816D+01
      4  -0.844886D+01 -0.611435D+02  0.819512D+01
      5   0.275054D+02  0.101543D+02 -0.670696D+02
      6  -0.286325D+01  0.371314D+00 -0.147604D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.331987D+01 -0.201554D+01 -0.130428D+01 -0.124940D+01  0.419217D+00
      2  -0.201554D+01  0.339944D+00  0.529454D+00  0.419217D+00 -0.400606D+01
      3  -0.130428D+01  0.529454D+00 -0.432342D+00  0.423824D-01 -0.128126D+01
                 6             7             8             9            10 
      1   0.423824D-01 -0.664903D+00 -0.404425D+00  0.126449D+00 -0.720240D+01
      2  -0.128126D+01 -0.404425D+00 -0.173743D+01 -0.152125D+01 -0.155503D+01
      3  -0.863723D+00  0.126449D+00 -0.152125D+01 -0.308945D+01 -0.344205D+01
                11            12            13            14            15 
      1  -0.155503D+01 -0.344205D+01 -0.125852D+01  0.707184D+00  0.979776D+00
      2  -0.123229D+01  0.495004D+00  0.707184D+00  0.321416D+00  0.432951D+00
      3   0.495004D+00 -0.459953D+00  0.979776D+00  0.432951D+00  0.566217D+00
                16            17            18            19            20 
      1  -0.214834D+01  0.959866D+00  0.254251D+00  0.174385D+02  0.646904D+00
      2   0.959866D+00  0.413519D+00  0.824761D+00  0.646904D+00  0.328636D+01
      3   0.254251D+00  0.824761D+00  0.161273D+01  0.411765D+01  0.367740D+00
                21            22            23            24            25 
      1   0.411765D+01  0.162928D+00  0.319417D+01 -0.395405D+00  0.289286D+01
      2   0.367740D+00  0.319417D+01  0.100153D+01  0.969063D+00 -0.162640D+00
      3   0.301973D+01 -0.395405D+00  0.969063D+00  0.764941D-01  0.409719D+01
                26            27            28            29            30 
      1  -0.162640D+00  0.409719D+01  0.102442D+01  0.306630D+01  0.124612D+01
      2   0.899530D+00  0.808815D-01  0.306630D+01 -0.486657D+00 -0.156547D+00
      3   0.808815D-01  0.289846D+01  0.124612D+01 -0.156547D+00  0.293129D+00
                31            32            33            34            35 
      1   0.198895D+01 -0.466421D+00  0.273152D+00  0.132022D+01 -0.341832D+00
      2  -0.466421D+00 -0.219107D+01  0.113362D+01 -0.341832D+00  0.241055D+01
      3   0.273152D+00  0.113362D+01 -0.750662D+00  0.258351D-02 -0.180619D+01
                36            37            38            39            40 
      1   0.258351D-02 -0.168321D+01 -0.305954D+01  0.102367D+01 -0.266802D+01
      2  -0.180619D+01 -0.305954D+01 -0.661128D+00 -0.240401D+01 -0.326493D+00
      3  -0.632957D+01  0.102367D+01 -0.240401D+01 -0.133284D+01 -0.227026D+01
                41            42            43            44            45 
      1  -0.326493D+00 -0.227026D+01  0.108302D+01 -0.257401D+01 -0.102540D+01
      2   0.170570D+00 -0.825165D+00 -0.257401D+01 -0.177934D+01  0.357446D+01
      3  -0.825165D+00  0.441778D+01 -0.102540D+01  0.357446D+01  0.724921D+00
                46            47            48            49            50 
      1  -0.155576D+01  0.135698D+01 -0.776118D+00  0.467723D+00  0.225429D+01
      2   0.135698D+01  0.242639D+01  0.733946D+00  0.225429D+01  0.278362D+01
      3  -0.776118D+00  0.733946D+00  0.255213D+01  0.905924D+00  0.169768D+01
                51            52            53            54            55 
      1   0.905924D+00 -0.101187D+01  0.106922D+01  0.155700D+01 -0.414413D+01
      2   0.169768D+01  0.106922D+01  0.763927D+00 -0.294619D+01 -0.191346D+01
      3  -0.424544D+01  0.155700D+01 -0.294619D+01  0.260157D+01 -0.103193D+01
                56            57            58            59            60 
      1  -0.191346D+01 -0.103193D+01 -0.754357D+00 -0.944581D+00 -0.254992D+00
      2  -0.301130D+01 -0.129131D+00 -0.944581D+00  0.425065D+01 -0.128507D+01
      3  -0.129131D+00 -0.921538D+00 -0.254992D+00 -0.128507D+01 -0.145575D+00
                61            62            63            64            65 
      1  -0.193631D+01 -0.338477D+00 -0.619363D-01 -0.179681D+00 -0.934008D-01
      2  -0.338477D+00 -0.315788D+01  0.169040D+01 -0.934008D-01 -0.725959D-02
      3  -0.619363D-01  0.169040D+01 -0.786468D+00  0.112433D+01  0.632976D-01
                66            67            68            69            70 
      1   0.112433D+01  0.341774D-01  0.109726D+00  0.357785D-01  0.139926D+01
      2   0.632976D-01  0.109726D+00  0.128475D+01  0.109208D+01  0.386379D+00
      3   0.452657D-01  0.357785D-01  0.109208D+01  0.101145D+01  0.160021D+00
                71            72            73            74            75 
      1   0.386379D+00  0.160021D+00  0.175087D+01  0.309277D+01 -0.569889D-01
      2   0.184186D+01  0.120675D+01  0.309277D+01  0.330016D+00  0.320831D+01
      3   0.120675D+01  0.829661D+01 -0.569889D-01  0.320831D+01  0.118361D+01
                76            77            78            79            80 
      1   0.355564D+01  0.957862D+00  0.321228D+01 -0.447694D-01  0.308683D+01
      2   0.957862D+00 -0.136794D+01  0.127357D+01  0.308683D+01  0.115419D+01
      3   0.321228D+01  0.127357D+01 -0.359777D+01  0.187052D+01 -0.371808D+01
                81            82            83            84            85 
      1   0.187052D+01  0.463531D+00  0.425558D+01 -0.835677D+00  0.406881D+01
      2  -0.371808D+01  0.425558D+01  0.240908D+00  0.289226D+01  0.473088D+00
      3  -0.208445D+00 -0.835677D+00  0.289226D+01  0.547703D+00  0.297606D+01
                86            87            88            89            90 
      1   0.473088D+00  0.297606D+01 -0.499830D+00  0.318638D+01  0.101343D+01
      2   0.147028D+01  0.241295D+00  0.318638D+01  0.121580D+01 -0.298817D+01
      3   0.241295D+00 -0.385246D+01  0.101343D+01 -0.298817D+01 -0.237768D+01
                91            92            93            94            95 
      1  -0.785633D-01  0.408603D+00 -0.114339D+01  0.124577D+01 -0.736159D+00
      2   0.408603D+00 -0.295877D+00  0.623196D-01 -0.736159D+00  0.908777D+00
      3  -0.114339D+01  0.623196D-01 -0.714895D+00  0.194559D+00 -0.172940D+01
                96            97            98            99           100 
      1   0.194559D+00 -0.172943D+01  0.891162D-01 -0.989364D+00 -0.191343D+01
      2  -0.172940D+01  0.891162D-01 -0.135759D+01  0.145187D+01 -0.198167D+01
      3   0.357405D+01 -0.989364D+00  0.145187D+01 -0.803623D+01 -0.610927D+00
               101           102           103           104           105 
      1  -0.198167D+01 -0.610927D+00 -0.228790D+01 -0.220392D+01 -0.796182D+00
      2  -0.240216D+01 -0.953995D+00 -0.220392D+01 -0.686554D+01 -0.236419D+01
      3  -0.953995D+00 -0.120054D+01 -0.796182D+00 -0.236419D+01 -0.173901D+01
               106           107           108           109           110 
      1  -0.215988D+00 -0.432852D+00 -0.901978D+00  0.472923D+01  0.330365D+01
      2  -0.432852D+00 -0.103979D+01 -0.998901D+00  0.330365D+01  0.457187D+01
      3  -0.901978D+00 -0.998901D+00 -0.163151D+01  0.280294D-02 -0.135412D+00
               111           112           113           114           115 
      1   0.280294D-02  0.258777D+01  0.212094D+01 -0.109776D-01  0.535197D+00
      2  -0.135412D+00  0.212094D+01  0.374552D+01 -0.262573D-01  0.374127D+00
      3   0.105579D+01 -0.109776D-01 -0.262573D-01  0.655863D+00  0.553986D+00
               116           117           118           119           120 
      1   0.374127D+00  0.553986D+00  0.588338D+00  0.226297D+00 -0.468231D+00
      2   0.639714D+00  0.727009D+00  0.226297D+00  0.478138D+00 -0.543081D+00
      3   0.727009D+00 -0.804339D-01 -0.468231D+00 -0.543081D+00  0.496802D+00
               121           122           123           124           125 
      1   0.105288D+01 -0.555293D+00  0.453162D-03 -0.143413D+01  0.152595D+00
      2  -0.555293D+00  0.406285D+01 -0.236077D+01  0.152595D+00 -0.285300D+01
      3   0.453162D-03 -0.236077D+01  0.277217D+01 -0.577583D+00  0.272965D+01
               126           127           128           129           130 
      1  -0.577583D+00 -0.293613D+01  0.112866D+01  0.131148D+01  0.148673D+01
      2   0.272965D+01  0.112866D+01 -0.126784D+01 -0.975256D+00 -0.170370D+01
      3  -0.372847D+01  0.131148D+01 -0.975256D+00 -0.137449D+01 -0.122039D+01
               131           132           133           134           135 
      1  -0.170370D+01 -0.122039D+01  0.313670D+01 -0.185802D+01 -0.206677D+01
      2   0.277910D+01  0.126705D+01 -0.185802D+01  0.231530D+01  0.198579D+01
      3   0.126705D+01  0.187766D+01 -0.206677D+01  0.198579D+01  0.365739D+01
               136           137           138           139           140 
      1  -0.678924D+01 -0.169506D+01 -0.175645D+01 -0.409200D+01 -0.171188D+01
      2  -0.169506D+01 -0.158591D+01 -0.765739D+00 -0.171188D+01 -0.186674D+01
      3  -0.175645D+01 -0.765739D+00 -0.164857D+01 -0.134402D+01 -0.764237D+00
               141           142           143           144           145 
      1  -0.134402D+01 -0.225882D+01 -0.795827D+00 -0.180736D+01  0.339773D+01
      2  -0.764237D+00 -0.795827D+00 -0.815674D+00 -0.186350D+00 -0.202352D+01
      3  -0.927454D+00 -0.180736D+01 -0.186350D+00 -0.141975D+01  0.924730D+00
               146           147           148           149           150 
      1  -0.202352D+01  0.924730D+00 -0.212421D+01  0.148103D+01 -0.904270D+00
      2   0.282804D+01 -0.163986D+01  0.148103D+01 -0.363447D+01  0.143216D+01
      3  -0.163986D+01  0.196005D+01 -0.904270D+00  0.143216D+01 -0.108521D+01
               151           152           153           154           155 
      1   0.858908D+00 -0.842658D+00  0.776585D+00 -0.471952D+01 -0.312184D+01
      2  -0.842658D+00  0.103780D+01 -0.844410D+00 -0.312184D+01 -0.300118D+01
      3   0.776585D+00 -0.844410D+00  0.170127D+01  0.997726D-01 -0.142972D+00
               156           157           158           159           160 
      1   0.997726D-01 -0.307744D+01 -0.258016D+01 -0.251539D+00 -0.124802D+01
      2  -0.142972D+00 -0.258016D+01 -0.407352D+01  0.664445D-01 -0.102210D+01
      3  -0.128152D+01 -0.251539D+00  0.664445D-01 -0.649865D+00 -0.741254D+00
               161           162           163           164           165 
      1  -0.102210D+01 -0.741254D+00 -0.151044D+01 -0.266857D-01  0.157550D+01
      2  -0.133720D+01 -0.287777D+00 -0.266857D-01 -0.550079D+00 -0.506339D+00
      3  -0.287777D+00 -0.426299D+00  0.157550D+01 -0.506339D+00 -0.178753D+01
               166           167           168           169           170 
      1   0.860461D+00 -0.488909D+00 -0.117234D+01  0.196623D+01 -0.531660D+00
      2  -0.488909D+00  0.122627D+01  0.103043D+01 -0.531660D+00  0.138572D+01
      3  -0.117234D+01  0.103043D+01  0.290548D+01 -0.224037D+01  0.102575D+01
               171 
      1  -0.224037D+01
      2   0.102575D+01
      3   0.662136D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.906799D+00 -0.553383D+00  0.702110D+00 -0.461939D+01  0.329317D+01
      2   0.610738D+01 -0.162636D+01  0.626205D+01 -0.480934D+01  0.770767D-01
      3  -0.565802D+01 -0.408446D+01  0.143621D+01  0.813662D+01  0.350664D+01
                 6             7             8             9            10 
      1  -0.403659D+01  0.237484D+01  0.226868D+00 -0.414269D+01 -0.233115D+01
      2  -0.549647D+00 -0.575298D+01 -0.349528D+01 -0.282583D+01  0.718844D+00
      3   0.249598D+01  0.404317D+01 -0.131111D+01  0.171233D+01  0.456897D+01
                11            12            13            14            15 
      1  -0.336836D+01 -0.100703D+01  0.178400D+01 -0.107048D+02 -0.250647D+01
      2   0.234172D+01 -0.942254D+01  0.826439D+01 -0.147215D+01 -0.836465D+00
      3   0.107683D+02 -0.195852D+01  0.753750D+01 -0.575245D+01 -0.331060D+00
                16            17            18            19            20 
      1  -0.234477D+01  0.717426D+01  0.792368D+01  0.124078D+01  0.501324D+01
      2  -0.727045D+01  0.182195D+01 -0.352193D+01  0.243342D+01  0.242154D+01
      3  -0.771540D+01  0.543044D+01  0.409895D+00 -0.639997D+01 -0.185566D+02
                21            22            23            24            25 
      1   0.206369D+00 -0.360858D+00  0.327744D+01 -0.189564D+01  0.231968D+01
      2   0.168215D+02 -0.811734D+00  0.283487D+01  0.350874D+00  0.378190D+01
      3  -0.246766D+01 -0.351782D+01 -0.146598D+01 -0.133115D+01  0.120347D+01
                26            27            28            29            30 
      1   0.199181D+01 -0.885925D+00  0.244479D+01 -0.181753D+01  0.208624D+01
      2   0.185859D+00  0.730642D+01  0.198639D+01 -0.397689D+01  0.780289D+00
      3  -0.461394D+01 -0.275097D+01 -0.127229D+01 -0.227916D+01  0.132914D+01
                31            32            33            34            35 
      1  -0.295959D+01  0.851397D+00  0.222216D+01  0.845521D+00  0.384221D+01
      2  -0.420443D+01  0.174320D+01 -0.210523D+01 -0.509398D+01  0.148959D+00
      3   0.321234D+01  0.721090D+01 -0.154058D+00  0.328485D+01 -0.140132D+01
                36            37            38            39            40 
      1   0.523485D+00 -0.391558D+00  0.740314D-02 -0.787529D+00  0.928118D+00
      2  -0.265674D+01 -0.880693D+00  0.495848D+01  0.668740D+01  0.454046D+01
      3   0.634178D-01 -0.464706D+01 -0.445598D+01 -0.381788D+01  0.409210D+01
                41            42            43            44            45 
      1   0.804817D+00 -0.280310D+01  0.157997D+00  0.494385D+01 -0.113236D+01
      2   0.840957D+00 -0.357821D+01 -0.262125D+01 -0.321073D+01 -0.205824D+01
      3  -0.116917D+01 -0.298691D+00 -0.272174D+01 -0.137775D+00  0.499171D+01
                46            47            48            49            50 
      1  -0.118131D+01 -0.326037D+01  0.391085D+00 -0.370862D+01 -0.541632D+01
      2  -0.522006D+01  0.110796D+01 -0.281543D+01  0.550157D+00  0.228258D+01
      3   0.738653D+01  0.176721D+01  0.208782D+01  0.476653D+01  0.226060D+00
                51            52            53            54            55 
      1  -0.110760D+02 -0.953453D+00 -0.313599D+01  0.939003D+01  0.277395D+01
      2   0.489047D+01 -0.544617D+01  0.238556D+01  0.112930D+01 -0.222413D+01
      3   0.186822D+01 -0.356365D+00 -0.339152D+00 -0.517870D+01 -0.123555D+02
                56            57            58            59            60 
      1   0.110558D+01  0.141919D+01  0.219344D+01  0.459835D+01 -0.712504D+01
      2  -0.249419D+01  0.157525D+01 -0.717226D+00 -0.233866D+01  0.405687D+00
      3  -0.668187D+01 -0.103376D+01  0.210614D+01 -0.561606D+01  0.245483D+00
                61            62            63            64            65 
      1   0.705592D+00  0.130937D+01  0.439149D+01 -0.704319D+00  0.907766D-01
      2  -0.310714D+01 -0.203518D+00 -0.113027D+01  0.844063D+00  0.103108D+01
      3  -0.465791D+01  0.209239D+01 -0.118355D+01 -0.224522D+00 -0.111165D+01
                66            67            68            69            70 
      1   0.160283D+00  0.654249D-01  0.330539D+00 -0.411449D+00  0.960801D+00
      2   0.595728D+00 -0.281547D-01  0.258638D+00  0.168257D+00 -0.439639D+01
      3   0.442897D-01  0.939525D+00 -0.262559D+00 -0.319613D+00  0.170922D+01
                71            72            73            74            75 
      1   0.355076D+01 -0.485572D+01 -0.864600D+00 -0.288108D+01 -0.258286D+01
      2  -0.649442D+00  0.293691D+01  0.132810D+01 -0.739684D+01 -0.203784D+01
      3  -0.402746D+00 -0.349629D+00  0.106269D+02  0.177273D+01  0.839304D+01
                76            77            78            79            80 
      1  -0.318111D+01 -0.261122D+00  0.133183D+01 -0.403247D+01  0.502175D+01
      2  -0.781000D+01 -0.305121D+01  0.103515D+02 -0.898506D+01  0.112934D+02
      3   0.930141D+01 -0.354997D+01  0.625242D+01  0.862722D+01  0.565980D+01
                81            82            83            84            85 
      1   0.200029D+01  0.516103D+01  0.435604D+01  0.572098D+01  0.528651D+01
      2   0.900790D+00  0.230659D+00 -0.122904D+02  0.283885D+01 -0.112586D+02
      3  -0.789357D+01  0.544844D+01 -0.837261D+01  0.664092D+01 -0.261220D+01
                86            87            88            89            90 
      1   0.387020D+01 -0.708781D+01  0.614137D+01 -0.102717D+01 -0.956519D+01
      2  -0.966145D+00  0.510624D+00 -0.307642D+01 -0.249707D+00  0.333272D+01
      3   0.238048D+01 -0.389066D+01  0.540264D+01 -0.339386D+01 -0.570467D+01
                91            92            93            94            95 
      1  -0.187830D+01  0.797184D+00 -0.506782D+00  0.242942D+01 -0.456579D+01
      2  -0.685966D-01  0.108257D+01 -0.501036D+00  0.339378D+01 -0.726198D+00
      3   0.219340D+00 -0.169363D+01  0.518822D+00 -0.839458D+00  0.178820D+01
                96            97            98            99           100 
      1   0.527830D+01 -0.150927D+01  0.631772D+01 -0.987075D+01  0.237391D+01
      2  -0.190819D+01 -0.478566D+01 -0.761221D+00  0.220788D+01 -0.272899D+01
      3  -0.158703D+01  0.120053D+01 -0.108141D+01  0.302695D+01  0.188343D+01
               101           102           103           104           105 
      1   0.275742D+01 -0.706115D+00  0.267770D+01  0.780795D+01 -0.117544D+01
      2  -0.201366D+01  0.149326D+01 -0.407355D+01 -0.237535D+01  0.200161D+00
      3  -0.503049D+00 -0.197077D+00  0.437380D+01 -0.193728D+01 -0.350925D+00
               106           107           108           109           110 
      1  -0.518511D+00  0.117773D+01 -0.371519D+00 -0.147806D+01 -0.643300D+00
      2  -0.691454D+00 -0.514714D+00 -0.711190D+00  0.165301D+01  0.177664D+01
      3   0.557040D+00  0.153953D+00  0.122308D+01  0.116683D+02  0.314032D+01
               111           112           113           114           115 
      1  -0.268564D+01 -0.926258D+00 -0.279284D+00 -0.181163D+01 -0.105142D+01
      2   0.194733D+01  0.966747D+00  0.123236D+01  0.968840D+00 -0.138000D+00
      3   0.270807D+00  0.508706D+01  0.387331D+01 -0.826188D-01  0.147963D+01
               116           117           118           119           120 
      1  -0.297641D+00  0.158558D+00  0.423544D-01 -0.388183D+00 -0.275265D+00
      2   0.783356D+00  0.445363D+00  0.240243D+01  0.134541D+01 -0.895094D+00
      3  -0.835477D-01  0.630386D+00  0.190121D+01  0.118092D+01 -0.155202D+01
               121           122           123           124           125 
      1   0.561904D-01 -0.800825D+00 -0.319684D+01  0.267833D+00  0.774622D+00
      2   0.187904D+01  0.561341D+01 -0.715231D+01 -0.187869D+01 -0.642015D+01
      3   0.223956D+01  0.977188D+01 -0.609302D+01 -0.241479D+01 -0.717465D+01
               126           127           128           129           130 
      1   0.291628D+01 -0.166708D+01  0.104451D+01  0.217458D+01  0.170130D+01
      2   0.856125D+01 -0.382219D+01  0.315788D+01  0.533624D+01  0.292837D+01
      3   0.619580D+01  0.335892D+00 -0.360760D+01 -0.160853D+01 -0.142128D+01
               131           132           133           134           135 
      1  -0.136937D+01 -0.371799D+01  0.203579D+01 -0.464077D+00 -0.527843D+01
      2  -0.382584D+01 -0.603163D+01  0.370775D+01 -0.539304D+01 -0.108334D+02
      3   0.594720D+01  0.220699D+01 -0.133244D+01  0.537874D+01  0.374880D+01
               136           137           138           139           140 
      1   0.201060D+01  0.193676D+01  0.993566D+00  0.126015D+01  0.206933D+01
      2   0.164734D+01  0.129976D+01  0.555871D+01  0.152018D+01  0.133953D+01
      3  -0.871781D+01 -0.768082D+01 -0.350866D+01 -0.514581D+01 -0.749432D+01
               141           142           143           144           145 
      1  -0.436845D+00  0.138957D+01  0.159438D+01  0.542388D+00 -0.190678D+01
      2   0.301652D+01  0.212118D+01  0.252800D+00  0.323232D+01 -0.822608D+01
      3  -0.269383D+01 -0.360682D+01 -0.346882D+01 -0.174328D+01 -0.942476D+01
               146           147           148           149           150 
      1   0.257404D+01  0.137510D+01  0.114277D+01 -0.342185D+01 -0.107222D+01
      2   0.488397D+01 -0.186748D+01  0.514101D+01 -0.411454D+01  0.219728D+01
      3   0.480790D+01 -0.276620D+01  0.702562D+01 -0.590820D+01  0.303925D+01
               151           152           153           154           155 
      1  -0.572115D-01  0.154485D+01  0.117980D+01 -0.445474D+01 -0.439820D+01
      2  -0.339356D+01  0.250149D+01 -0.274738D+01  0.581530D+01  0.430724D+01
      3  -0.269160D+01  0.227910D+01 -0.225660D+01  0.241063D+01 -0.255619D+01
               156           157           158           159           160 
      1  -0.355637D+01 -0.406803D+01 -0.538024D+01 -0.262248D+01 -0.206862D+01
      2   0.420357D+01  0.486249D+01  0.361768D+01  0.237485D+01  0.159962D+01
      3  -0.259277D-01  0.222511D+01 -0.343965D+01  0.445064D+00  0.697746D+00
               161           162           163           164           165 
      1  -0.740832D+00 -0.174436D+01  0.171728D+01 -0.237254D+01 -0.312191D+01
      2   0.141445D+01  0.221652D+01  0.117728D+00  0.752223D+00  0.206052D+01
      3  -0.119362D+01  0.540464D+00  0.122776D+01 -0.191985D+01 -0.245337D+01
               166           167           168           169           170 
      1  -0.181507D+01  0.462832D+01  0.352191D+01 -0.364077D+01  0.626164D+01
      2  -0.333594D+00 -0.970193D+00 -0.327339D+01 -0.169806D+01 -0.913512D+00
      3  -0.381922D+00  0.291450D+01  0.269232D+01 -0.270843D+01  0.360752D+01
               171 
      1   0.948950D+01
      2  -0.789756D+01
      3   0.451814D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768454D+01 -0.223934D+01 -0.400106D+01  0.320743D+01 -0.109406D+02
      2  -0.400109D+01  0.694525D-01 -0.800565D-01 -0.284628D+01  0.166019D+02
      3  -0.368345D+01  0.216988D+01  0.408111D+01 -0.361150D+00 -0.566138D+01
      4  -0.588782D+01  0.145672D+02  0.436175D+01  0.701838D+01 -0.718056D+01
      5  -0.599552D+01  0.484409D+01  0.133092D+02  0.355992D+01 -0.487620D+01
      6   0.368961D+01  0.443643D+00 -0.122903D+01 -0.139035D+01  0.855826D+01
                 6             7             8             9            10 
      1  -0.560650D+01  0.247358D+01 -0.526721D+01 -0.106702D+02 -0.508442D+02
      2   0.214037D+01  0.324867D+00  0.237751D+01 -0.288675D+01  0.295647D+02
      3   0.346613D+01 -0.279845D+01  0.288970D+01  0.135570D+02  0.212795D+02
      4  -0.265564D+01  0.334243D+01  0.308112D+01 -0.374481D+01 -0.397514D+01
      5   0.828479D+00  0.719254D+01 -0.417145D+01 -0.415098D+01 -0.186028D+02
      6   0.845622D+01 -0.983065D+00  0.981909D+01  0.920392D+01  0.326391D+01
                11            12            13            14            15 
      1   0.175943D+01 -0.845443D+01 -0.695270D+01  0.147830D+01  0.850775D+01
      2  -0.689930D+01  0.805815D+01  0.226610D+01 -0.604558D+00 -0.146308D+01
      3   0.513987D+01  0.396277D+00  0.468660D+01 -0.873741D+00 -0.704467D+01
      4  -0.157307D+02  0.111759D+00  0.473114D+01 -0.337320D+01  0.123306D+01
      5   0.139194D+00 -0.183450D+02 -0.215055D+01  0.585193D+00 -0.177394D+01
      6  -0.557116D+01  0.909214D+00 -0.384122D+00 -0.564148D+01  0.327198D+00
                16            17            18            19            20 
      1  -0.165936D+02  0.900775D+01  0.470021D-01  0.102095D+03  0.896061D+00
      2   0.838378D+01 -0.872529D+01  0.362229D+00 -0.557669D+02  0.356798D+01
      3   0.820986D+01 -0.282462D+00 -0.409231D+00 -0.463280D+02 -0.446404D+01
      4  -0.152755D+01 -0.786252D+01  0.149062D+01  0.196229D-01  0.248942D+02
      5  -0.113785D+01  0.330191D+01 -0.641962D+01  0.241536D+02  0.137214D+00
      6   0.205324D+01 -0.226841D+01 -0.567293D+01 -0.544305D+01  0.301121D+01
                21            22            23            24            25 
      1   0.156824D+02  0.392411D+01  0.959028D+01 -0.204755D+01  0.129404D+02
      2  -0.122331D+02 -0.312339D+01 -0.160519D+00  0.803690D+00 -0.105026D+02
      3  -0.344924D+01 -0.800722D+00 -0.942976D+01  0.124386D+01 -0.243775D+01
      4  -0.972420D-02  0.218715D+02  0.184236D+01  0.571713D+01 -0.149279D+01
      5   0.283489D+02 -0.133312D+01  0.446753D+01  0.661212D+00  0.277819D+02
      6  -0.227149D+01  0.336227D+01 -0.391811D+00  0.511633D+01 -0.277311D+01
                26            27            28            29            30 
      1  -0.182067D+01  0.125527D+02 -0.587427D+01  0.531424D+01  0.205139D+01
      2   0.131426D+01 -0.136984D+02  0.393905D+01 -0.622969D+01 -0.952119D+00
      3   0.506417D+00  0.114568D+01  0.193522D+01  0.915448D+00 -0.109927D+01
      4   0.632197D+01 -0.111536D+01  0.727469D+00  0.542628D+00 -0.209954D+00
      5  -0.126230D+00  0.176344D+02  0.205608D+01  0.100548D+00 -0.280171D-01
      6   0.526370D+01 -0.165083D+01  0.105400D+01 -0.605447D+00 -0.233778D+01
                31            32            33            34            35 
      1  -0.595144D+01  0.866441D+01 -0.611463D+01  0.278946D+00 -0.981439D+01
      2   0.430998D+01 -0.146709D+02  0.382142D+01 -0.104724D+01  0.170433D+02
      3   0.164145D+01  0.600653D+01  0.229322D+01  0.768289D+00 -0.722888D+01
      4  -0.365273D+01 -0.155067D+01  0.156215D+01 -0.808117D+00 -0.139976D+01
      5  -0.439106D+00  0.204607D+00 -0.413877D+01 -0.255999D+01 -0.713863D+00
      6   0.145295D+01  0.157317D+01 -0.356380D+01 -0.360916D-01 -0.551420D+00
                36            37            38            39            40 
      1   0.860992D+01  0.243047D+01  0.780876D+01 -0.451952D+01  0.131019D+02
      2   0.122937D+02 -0.115051D+01 -0.137452D+01  0.337283D+01 -0.369758D+01
      3  -0.209036D+02 -0.127996D+01 -0.643424D+01  0.114669D+01 -0.940428D+01
      4   0.104815D+01  0.120712D+02  0.414621D+00  0.482298D+01  0.291276D+00
      5  -0.560134D+01 -0.501342D+01  0.553468D+01  0.257223D+01  0.105593D+02
      6  -0.995982D+01 -0.240890D+01  0.485739D+01  0.962436D+00  0.350951D+01
                41            42            43            44            45 
      1   0.699729D+00  0.663478D+01 -0.276563D+01  0.643409D+01  0.306185D+01
      2   0.311085D+01 -0.420758D+01  0.117564D+01 -0.190782D+01 -0.630579D+01
      3  -0.381058D+01 -0.242720D+01  0.158999D+01 -0.452627D+01  0.324394D+01
      4  -0.718446D-01  0.287489D+01  0.845272D+01  0.187787D+01 -0.827067D+01
      5   0.382925D+01 -0.869515D+01  0.430017D+01 -0.880107D+01  0.274149D+01
      6   0.472410D+01 -0.477440D+01 -0.246521D+01 -0.493602D+01  0.355581D+01
                46            47            48            49            50 
      1  -0.362253D+01  0.364385D+01  0.753403D+01  0.197644D+01  0.632829D+01
      2  -0.838678D+00 -0.693015D+01 -0.756098D+00 -0.743194D+01 -0.109190D+02
      3   0.446121D+01  0.328631D+01 -0.677794D+01  0.545550D+01  0.459074D+01
      4  -0.246165D+01 -0.120259D+02 -0.371444D+01 -0.663120D+01 -0.847397D+01
      5   0.325816D+01 -0.556422D+01 -0.706915D+01 -0.466405D+01 -0.706302D+01
      6   0.517635D+00 -0.930206D+01 -0.533114D+01 -0.834546D+01 -0.112479D+02
                51            52            53            54            55 
      1  -0.778157D+01  0.598126D+01 -0.594573D+01  0.670450D+01  0.473365D+01
      2  -0.108457D+02 -0.174308D+01 -0.699891D+01  0.972289D+01 -0.821903D+01
      3   0.186273D+02 -0.423818D+01  0.129446D+02 -0.164274D+02  0.348538D+01
      4  -0.526443D+01 -0.120701D+01 -0.245807D+01  0.123631D+01 -0.173843D+02
      5   0.452983D+01 -0.230727D+01  0.136453D+01 -0.653072D+01 -0.133139D+01
      6  -0.240565D+01 -0.197311D+01 -0.105150D+00  0.653764D+01 -0.356678D+01
                56            57            58            59            60 
      1   0.166504D+01 -0.124853D+00  0.320774D+01 -0.205812D+02  0.590782D+01
      2  -0.914390D+01  0.220789D+00 -0.600264D+01  0.306836D+02 -0.157797D+01
      3   0.747886D+01 -0.959356D-01  0.279490D+01 -0.101024D+02 -0.432985D+01
      4  -0.568962D+01 -0.270538D+01  0.364022D+00 -0.508141D+01 -0.208366D+01
      5  -0.650613D+00  0.326317D+01 -0.356273D+00 -0.107688D+01  0.178031D+01
      6  -0.209618D+01 -0.142112D+01 -0.192762D+01 -0.436159D+01  0.922623D+01
                61            62            63            64            65 
      1  -0.131945D+01  0.915534D+01 -0.823627D+01  0.217876D+00 -0.366323D+00
      2   0.145900D+00 -0.141756D+02  0.205715D+01 -0.318870D+01 -0.219204D+00
      3   0.117355D+01  0.502023D+01  0.617913D+01  0.297082D+01  0.585527D+00
      4  -0.544309D+01 -0.361292D+01  0.323297D+00 -0.245097D+00  0.246586D+01
      5   0.345803D+01  0.181891D+01 -0.229586D+01  0.112548D+01  0.124438D+01
      6  -0.880421D+00  0.108662D+02 -0.605134D+01  0.204161D+01  0.187045D+00
                66            67            68            69            70 
      1   0.443794D+00  0.151200D+00 -0.559269D+01 -0.357614D+01  0.430788D+00
      2  -0.601108D+00 -0.198004D+00  0.298599D+01  0.958297D+00 -0.260759D+00
      3   0.157314D+00  0.468036D-01  0.260669D+01  0.261784D+01 -0.170029D+00
      4   0.247820D+01  0.180937D+01  0.517873D+00  0.218178D+00  0.172361D+01
      5   0.662187D+01  0.690460D+00  0.414288D+00  0.654232D+00  0.607299D+01
      6   0.635099D+00  0.211673D+00  0.456553D+01  0.834144D+01  0.866654D+00
                71            72            73            74            75 
      1  -0.469232D+01 -0.183769D+02 -0.119135D+02 -0.159107D+02 -0.376057D+01
      2   0.108780D+01 -0.155325D+02  0.104203D+02  0.101379D+02  0.578991D+01
      3   0.360452D+01  0.339094D+02  0.149320D+01  0.577273D+01 -0.202934D+01
      4   0.897289D+00  0.202662D+00 -0.170665D+02 -0.124573D+01 -0.154632D+02
      5   0.103441D+01  0.509926D+01 -0.176288D+01 -0.171434D+02 -0.827842D+01
      6   0.769214D+01  0.162125D+02 -0.538536D+01  0.353548D+01  0.437784D+00
                76            77            78            79            80 
      1  -0.207819D+02 -0.778932D+00 -0.196220D+02 -0.412000D+01 -0.181250D+02
      2   0.132035D+02  0.113421D+01  0.992914D+01  0.640411D+01  0.824426D+01
      3   0.757840D+01 -0.355279D+00  0.969288D+01 -0.228410D+01  0.988071D+01
      4  -0.390013D+01  0.405666D+01 -0.120671D+01 -0.182941D+02  0.755251D+00
      5  -0.211427D+02 -0.381657D+01  0.136064D+02 -0.116204D+02  0.149242D+02
      6   0.318336D+01  0.165074D+01 -0.864063D+01  0.366552D+01 -0.914137D+01
                81            82            83            84            85 
      1  -0.246832D+01  0.369167D+01 -0.189486D+02  0.410574D+01 -0.191387D+02
      2  -0.192326D+01 -0.102173D+02  0.193127D+01 -0.110530D+02 -0.274316D+00
      3   0.439158D+01  0.652566D+01  0.170173D+02  0.694730D+01  0.194130D+02
      4   0.155007D+02 -0.128782D+02 -0.135538D+02 -0.496293D+01 -0.139081D+02
      5   0.374414D+01  0.609545D+00  0.818686D+00 -0.443590D+01 -0.159273D+01
      6  -0.238851D+00  0.705821D+01 -0.698044D+01  0.613722D+01 -0.653133D+01
                86            87            88            89            90 
      1  -0.254822D+01 -0.289003D+01  0.169527D+01 -0.407294D+01 -0.231799D+01
      2  -0.333534D+01  0.990542D+01 -0.115340D+02  0.766180D+01  0.141284D+02
      3   0.588356D+01 -0.701539D+01  0.983873D+01 -0.358885D+01 -0.118104D+02
      4  -0.486006D+01 -0.687434D+01 -0.853784D+01 -0.948277D+01  0.876704D+01
      5  -0.303866D+01  0.171791D+02 -0.605979D+01  0.148166D+02  0.919686D+01
      6  -0.102093D+01  0.525698D+01  0.663448D+01  0.587986D+01 -0.776968D+01
                91            92            93            94            95 
      1  -0.304757D+00 -0.627338D+00  0.986271D-01 -0.620375D+00 -0.479924D+01
      2  -0.397987D+01  0.124480D+01 -0.161216D+01  0.260319D+01 -0.926164D+00
      3   0.428462D+01 -0.617458D+00  0.151354D+01 -0.198282D+01  0.572540D+01
      4  -0.192879D+00  0.231171D+01  0.719376D+00  0.171217D+01  0.847981D-01
      5   0.183222D+01 -0.116201D+01  0.822341D+01 -0.298383D+01  0.228112D+01
      6  -0.785457D+00  0.115586D+01  0.578371D+00  0.279076D+01 -0.313696D+01
                96            97            98            99           100 
      1   0.772910D+01 -0.211196D+01  0.273296D+01 -0.213429D+02  0.621274D+00
      2   0.856560D+01 -0.195779D+01  0.446441D+01 -0.196087D+02  0.436577D+01
      3  -0.162947D+02  0.406976D+01 -0.719737D+01  0.409516D+02 -0.498705D+01
      4   0.192572D+01  0.703961D+00  0.184335D+01 -0.109577D+01  0.890239D+01
      5  -0.430418D+01  0.731377D+01 -0.894771D+00  0.853740D+01  0.513436D+01
      6   0.573927D+01 -0.136157D+00  0.603909D+01  0.258129D+00  0.558058D+01
               101           102           103           104           105 
      1  -0.318050D+01 -0.208407D+01 -0.311050D+01 -0.178481D+02 -0.711700D+01
      2   0.688237D+01  0.987136D+00  0.663721D+01  0.278805D+02  0.690782D+01
      3  -0.370187D+01  0.109693D+01 -0.352671D+01 -0.100324D+02  0.209187D+00
      4   0.119048D+02  0.432390D+01  0.114345D+02  0.151905D+02  0.507107D+01
      5   0.600043D+01  0.518360D+01  0.542991D+01  0.640620D+01  0.423150D+01
      6   0.737503D+01  0.552360D+01  0.640147D+01  0.211285D+02  0.129914D+02
               106           107           108           109           110 
      1  -0.229499D+01 -0.338908D+01 -0.592261D+01  0.198364D+01 -0.365156D+01
      2   0.271174D+00  0.213659D+01  0.158935D+01  0.911944D+01  0.154122D+02
      3   0.202382D+01  0.125249D+01  0.433326D+01 -0.111031D+02 -0.117606D+02
      4   0.147039D+01  0.227928D+01  0.292771D+01  0.219782D+02  0.202959D+02
      5   0.249182D+01  0.264389D+01  0.322044D+01 -0.255052D+00 -0.160625D+00
      6   0.347543D+01  0.839579D+01  0.576606D+01  0.172331D+01  0.122379D+01
               111           112           113           114           115 
      1  -0.133709D-01 -0.144783D+01 -0.569450D+01 -0.121385D+00 -0.812436D-01
      2  -0.190419D+00  0.823353D+01  0.155431D+02  0.346204D+00  0.854797D+00
      3   0.203790D+00 -0.678570D+01 -0.984856D+01 -0.224819D+00 -0.773553D+00
      4   0.366282D+00  0.129120D+02  0.126404D+02  0.185789D+00  0.265467D+01
      5   0.230604D+01 -0.241760D+00  0.172728D+00  0.101888D+01  0.284375D+01
      6   0.365580D+01  0.745340D+00  0.118471D+01  0.293918D+01  0.322090D+01
               116           117           118           119           120 
      1  -0.962068D+00 -0.124880D+01 -0.167927D+01 -0.162371D+01  0.379822D+01
      2   0.189644D+01  0.138356D+01  0.976053D+00  0.850564D+00 -0.122281D+01
      3  -0.934372D+00 -0.134763D+00  0.703217D+00  0.773146D+00 -0.257542D+01
      4   0.241659D+01  0.305589D+01  0.136033D+01  0.137616D+01  0.469934D-01
      5   0.194059D+01  0.592872D+00  0.107278D+01  0.749699D+00  0.860591D+00
      6   0.454826D+01  0.389657D+00 -0.129714D+01 -0.108180D+01  0.921598D+00
               121           122           123           124           125 
      1  -0.395527D+01 -0.837878D+01  0.809551D+01  0.649201D+01  0.834157D+01
      2   0.138216D+01  0.116199D+02 -0.517710D+01 -0.330754D+01 -0.609380D+01
      3   0.257311D+01 -0.324114D+01 -0.291841D+01 -0.318447D+01 -0.224777D+01
      4   0.690489D+01 -0.158586D+02  0.894141D+01 -0.320133D+01  0.107818D+02
      5  -0.113842D+01  0.941437D+01 -0.120155D+02  0.591002D+01 -0.109858D+02
      6   0.815292D+00 -0.109603D+02  0.112224D+02 -0.146164D+01  0.115247D+02
               126           127           128           129           130 
      1  -0.814241D+01  0.160350D+02 -0.451607D+01 -0.610361D+01 -0.573821D+01
      2   0.401620D+00 -0.697953D+01 -0.593335D+00  0.156510D+01 -0.660867D+00
      3   0.774079D+01 -0.905547D+01  0.510941D+01  0.453851D+01  0.639908D+01
      4  -0.103193D+02 -0.973881D+01  0.100892D+02  0.766525D+01  0.127829D+02
      5   0.143335D+02 -0.814223D+01  0.663090D+01  0.103305D+02  0.770037D+01
      6  -0.118745D+02  0.374443D+01 -0.244138D+01 -0.290008D+01 -0.356671D+01
               131           132           133           134           135 
      1   0.182943D+01  0.318655D+01 -0.133581D+02  0.415166D+01  0.325384D+01
      2   0.535274D+01  0.103771D+01  0.546736D+01  0.184954D+01 -0.291781D+01
      3  -0.718217D+01 -0.422426D+01  0.789071D+01 -0.600120D+01 -0.336030D+00
      4  -0.156647D+02 -0.816777D+01  0.136115D+02 -0.135543D+02 -0.114922D+02
      5  -0.726591D+01 -0.101311D+02  0.144349D+02 -0.109350D+02 -0.205340D+02
      6   0.563725D+01  0.750719D+01 -0.536064D+01  0.815623D+01  0.962605D+01
               136           137           138           139           140 
      1   0.443251D+02  0.110568D+02  0.105827D+02  0.233163D+02  0.803053D+01
      2  -0.259840D+02 -0.742091D+01 -0.857033D+01 -0.138765D+02 -0.403158D+01
      3  -0.183411D+02 -0.363590D+01 -0.201237D+01 -0.943981D+01 -0.399895D+01
      4   0.789830D+01  0.103658D+02  0.370648D+01  0.113001D+02  0.115326D+02
      5   0.154638D+02  0.562623D+01  0.129685D+02  0.102289D+02  0.509647D+01
      6   0.138575D+01  0.113298D+01  0.146588D+00  0.185918D+01  0.242931D+01
               141           142           143           144           145 
      1   0.622775D+01  0.125467D+02  0.431933D+01  0.695062D+01 -0.847360D+01
      2  -0.538305D+01 -0.983610D+01 -0.352066D+01 -0.656112D+01  0.707174D+01
      3  -0.844704D+00 -0.271060D+01 -0.798673D+00 -0.389505D+00  0.140186D+01
      4   0.390294D+01  0.381366D+01  0.409068D+01  0.120540D+01 -0.653214D+01
      5   0.705463D+01  0.138893D+02  0.246949D+01  0.958942D+01  0.793878D+01
      6   0.309202D+01  0.380678D+00  0.346320D+01  0.920587D+00 -0.629501D+01
               146           147           148           149           150 
      1   0.128828D+02 -0.832560D+01  0.100030D+02 -0.139288D+02  0.777683D+01
      2  -0.110477D+02  0.281362D+01 -0.747191D+01  0.161786D+02 -0.497490D+01
      3  -0.183506D+01  0.551198D+01 -0.253105D+01 -0.224982D+01 -0.280194D+01
      4   0.380548D+01 -0.561344D+00  0.642046D+01  0.224122D+00  0.599928D+00
      5  -0.305147D+01  0.193471D+01 -0.408289D+01  0.199027D+01 -0.164089D+01
      6   0.101598D+02 -0.893029D+01  0.596930D+01 -0.125229D+02  0.854512D+01
               151           152           153           154           155 
      1  -0.476570D+01  0.673977D+01 -0.713177D+01  0.200444D+02  0.855838D+01
      2   0.255423D+01 -0.387540D+01 -0.221102D+00 -0.152386D+01  0.594178D+01
      3   0.221147D+01 -0.286437D+01  0.735287D+01 -0.185205D+02 -0.145002D+02
      4  -0.919797D+00  0.115968D+01 -0.162288D+01  0.240653D+02  0.211111D+02
      5   0.398640D+01 -0.199497D+01 -0.213574D+00 -0.722815D+01 -0.477158D+01
      6  -0.506611D+01  0.748601D+01 -0.661253D+01 -0.401474D+01 -0.387907D+01
               156           157           158           159           160 
      1   0.173179D+01  0.909537D+01  0.143141D+01  0.164065D+01  0.530488D+01
      2   0.245688D+01  0.477733D+01  0.135388D+02  0.486528D+00  0.111976D+01
      3  -0.418867D+01 -0.138727D+02 -0.149702D+02 -0.212718D+01 -0.642465D+01
      4   0.269978D+00  0.196905D+02  0.219364D+02  0.693716D+00  0.635421D+01
      5   0.655994D+01 -0.489947D+01 -0.357553D+01  0.231062D+01  0.351537D+01
      6   0.373619D+01 -0.297636D+01 -0.587915D+01  0.429667D+01  0.197225D+01
               161           162           163           164           165 
      1   0.147256D+01  0.214865D+01  0.451505D+01  0.204864D+00 -0.300557D+01
      2   0.293972D+01 -0.747989D+00 -0.644023D+01  0.245738D+01  0.918885D+01
      3  -0.441227D+01 -0.140066D+01  0.192518D+01 -0.266224D+01 -0.618328D+01
      4   0.662980D+01  0.323434D+01  0.138433D+01  0.423312D+01  0.909676D-01
      5   0.939854D+00  0.121137D+01 -0.100863D+02  0.201485D+01  0.129163D+02
      6   0.221970D+01  0.252808D+01 -0.862585D+00 -0.112474D+01  0.777027D+00
               166           167           168           169           170 
      1  -0.164958D+01 -0.382537D+00 -0.172124D+01 -0.355116D+01  0.843038D+00
      2   0.489660D+01 -0.313962D+01 -0.949015D+01  0.106695D+02 -0.660947D+01
      3  -0.324702D+01  0.352216D+01  0.112114D+02 -0.711836D+01  0.576643D+01
      4   0.309785D+01 -0.386608D+01 -0.244643D+01 -0.695486D+00 -0.376431D+01
      5   0.685606D+01 -0.414925D+01 -0.111558D+02  0.147434D+02 -0.458661D+01
      6  -0.952131D+00  0.504842D+01  0.356928D+01  0.911001D+00  0.578032D+01
               171 
      1  -0.896582D+01
      2  -0.230306D+02
      3   0.319964D+02
      4  -0.133117D+01
      5  -0.259281D+02
      6  -0.383092D+01
 Leave Link  716 at Fri Jul 16 20:09:02 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.942490D+02  0.204460D+01  0.422702D+01
      2   0.204460D+01  0.801319D+02  0.133699D+01
      3   0.422702D+01  0.133699D+01  0.772425D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.380528D+01  0.100997D+02  0.436630D+01
      2   0.422260D+01  0.737595D+01 -0.271442D+02
      3  -0.105292D+02  0.287549D+02 -0.884283D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.341251D+02  0.435315D+01  0.157902D+02
      2   0.199154D+02  0.144876D+01 -0.253183D+02
      3   0.142097D+02 -0.580192D+01  0.952816D+01
      4  -0.844886D+01 -0.611435D+02  0.819512D+01
      5   0.275054D+02  0.101543D+02 -0.670696D+02
      6  -0.286325D+01  0.371314D+00 -0.147604D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.331987D+01 -0.201554D+01 -0.130428D+01 -0.124940D+01  0.419217D+00
      2  -0.201554D+01  0.339944D+00  0.529454D+00  0.419217D+00 -0.400606D+01
      3  -0.130428D+01  0.529454D+00 -0.432342D+00  0.423824D-01 -0.128126D+01
                 6             7             8             9            10 
      1   0.423824D-01 -0.664903D+00 -0.404425D+00  0.126449D+00 -0.720240D+01
      2  -0.128126D+01 -0.404425D+00 -0.173743D+01 -0.152125D+01 -0.155503D+01
      3  -0.863723D+00  0.126449D+00 -0.152125D+01 -0.308945D+01 -0.344205D+01
                11            12            13            14            15 
      1  -0.155503D+01 -0.344205D+01 -0.125852D+01  0.707184D+00  0.979776D+00
      2  -0.123229D+01  0.495004D+00  0.707184D+00  0.321416D+00  0.432951D+00
      3   0.495004D+00 -0.459953D+00  0.979776D+00  0.432951D+00  0.566217D+00
                16            17            18            19            20 
      1  -0.214834D+01  0.959866D+00  0.254251D+00  0.174385D+02  0.646904D+00
      2   0.959866D+00  0.413519D+00  0.824761D+00  0.646904D+00  0.328636D+01
      3   0.254251D+00  0.824761D+00  0.161273D+01  0.411765D+01  0.367740D+00
                21            22            23            24            25 
      1   0.411765D+01  0.162928D+00  0.319417D+01 -0.395405D+00  0.289286D+01
      2   0.367740D+00  0.319417D+01  0.100153D+01  0.969063D+00 -0.162640D+00
      3   0.301973D+01 -0.395405D+00  0.969063D+00  0.764941D-01  0.409719D+01
                26            27            28            29            30 
      1  -0.162640D+00  0.409719D+01  0.102442D+01  0.306630D+01  0.124612D+01
      2   0.899530D+00  0.808815D-01  0.306630D+01 -0.486657D+00 -0.156547D+00
      3   0.808815D-01  0.289846D+01  0.124612D+01 -0.156547D+00  0.293129D+00
                31            32            33            34            35 
      1   0.198895D+01 -0.466421D+00  0.273152D+00  0.132022D+01 -0.341832D+00
      2  -0.466421D+00 -0.219107D+01  0.113362D+01 -0.341832D+00  0.241055D+01
      3   0.273152D+00  0.113362D+01 -0.750662D+00  0.258351D-02 -0.180619D+01
                36            37            38            39            40 
      1   0.258351D-02 -0.168321D+01 -0.305954D+01  0.102367D+01 -0.266802D+01
      2  -0.180619D+01 -0.305954D+01 -0.661128D+00 -0.240401D+01 -0.326493D+00
      3  -0.632957D+01  0.102367D+01 -0.240401D+01 -0.133284D+01 -0.227026D+01
                41            42            43            44            45 
      1  -0.326493D+00 -0.227026D+01  0.108302D+01 -0.257401D+01 -0.102540D+01
      2   0.170570D+00 -0.825165D+00 -0.257401D+01 -0.177934D+01  0.357446D+01
      3  -0.825165D+00  0.441778D+01 -0.102540D+01  0.357446D+01  0.724921D+00
                46            47            48            49            50 
      1  -0.155576D+01  0.135698D+01 -0.776118D+00  0.467723D+00  0.225429D+01
      2   0.135698D+01  0.242639D+01  0.733946D+00  0.225429D+01  0.278362D+01
      3  -0.776118D+00  0.733946D+00  0.255213D+01  0.905924D+00  0.169768D+01
                51            52            53            54            55 
      1   0.905924D+00 -0.101187D+01  0.106922D+01  0.155700D+01 -0.414413D+01
      2   0.169768D+01  0.106922D+01  0.763927D+00 -0.294619D+01 -0.191346D+01
      3  -0.424544D+01  0.155700D+01 -0.294619D+01  0.260157D+01 -0.103193D+01
                56            57            58            59            60 
      1  -0.191346D+01 -0.103193D+01 -0.754357D+00 -0.944581D+00 -0.254992D+00
      2  -0.301130D+01 -0.129131D+00 -0.944581D+00  0.425065D+01 -0.128507D+01
      3  -0.129131D+00 -0.921538D+00 -0.254992D+00 -0.128507D+01 -0.145575D+00
                61            62            63            64            65 
      1  -0.193631D+01 -0.338477D+00 -0.619363D-01 -0.179681D+00 -0.934008D-01
      2  -0.338477D+00 -0.315788D+01  0.169040D+01 -0.934008D-01 -0.725959D-02
      3  -0.619363D-01  0.169040D+01 -0.786468D+00  0.112433D+01  0.632976D-01
                66            67            68            69            70 
      1   0.112433D+01  0.341774D-01  0.109726D+00  0.357785D-01  0.139926D+01
      2   0.632976D-01  0.109726D+00  0.128475D+01  0.109208D+01  0.386379D+00
      3   0.452657D-01  0.357785D-01  0.109208D+01  0.101145D+01  0.160021D+00
                71            72            73            74            75 
      1   0.386379D+00  0.160021D+00  0.175087D+01  0.309277D+01 -0.569889D-01
      2   0.184186D+01  0.120675D+01  0.309277D+01  0.330016D+00  0.320831D+01
      3   0.120675D+01  0.829661D+01 -0.569889D-01  0.320831D+01  0.118361D+01
                76            77            78            79            80 
      1   0.355564D+01  0.957862D+00  0.321228D+01 -0.447694D-01  0.308683D+01
      2   0.957862D+00 -0.136794D+01  0.127357D+01  0.308683D+01  0.115419D+01
      3   0.321228D+01  0.127357D+01 -0.359777D+01  0.187052D+01 -0.371808D+01
                81            82            83            84            85 
      1   0.187052D+01  0.463531D+00  0.425558D+01 -0.835677D+00  0.406881D+01
      2  -0.371808D+01  0.425558D+01  0.240908D+00  0.289226D+01  0.473088D+00
      3  -0.208445D+00 -0.835677D+00  0.289226D+01  0.547703D+00  0.297606D+01
                86            87            88            89            90 
      1   0.473088D+00  0.297606D+01 -0.499830D+00  0.318638D+01  0.101343D+01
      2   0.147028D+01  0.241295D+00  0.318638D+01  0.121580D+01 -0.298817D+01
      3   0.241295D+00 -0.385246D+01  0.101343D+01 -0.298817D+01 -0.237768D+01
                91            92            93            94            95 
      1  -0.785633D-01  0.408603D+00 -0.114339D+01  0.124577D+01 -0.736159D+00
      2   0.408603D+00 -0.295877D+00  0.623196D-01 -0.736159D+00  0.908777D+00
      3  -0.114339D+01  0.623196D-01 -0.714895D+00  0.194559D+00 -0.172940D+01
                96            97            98            99           100 
      1   0.194559D+00 -0.172943D+01  0.891162D-01 -0.989364D+00 -0.191343D+01
      2  -0.172940D+01  0.891162D-01 -0.135759D+01  0.145187D+01 -0.198167D+01
      3   0.357405D+01 -0.989364D+00  0.145187D+01 -0.803623D+01 -0.610927D+00
               101           102           103           104           105 
      1  -0.198167D+01 -0.610927D+00 -0.228790D+01 -0.220392D+01 -0.796182D+00
      2  -0.240216D+01 -0.953995D+00 -0.220392D+01 -0.686554D+01 -0.236419D+01
      3  -0.953995D+00 -0.120054D+01 -0.796182D+00 -0.236419D+01 -0.173901D+01
               106           107           108           109           110 
      1  -0.215988D+00 -0.432852D+00 -0.901978D+00  0.472923D+01  0.330365D+01
      2  -0.432852D+00 -0.103979D+01 -0.998901D+00  0.330365D+01  0.457187D+01
      3  -0.901978D+00 -0.998901D+00 -0.163151D+01  0.280294D-02 -0.135412D+00
               111           112           113           114           115 
      1   0.280294D-02  0.258777D+01  0.212094D+01 -0.109776D-01  0.535197D+00
      2  -0.135412D+00  0.212094D+01  0.374552D+01 -0.262573D-01  0.374127D+00
      3   0.105579D+01 -0.109776D-01 -0.262573D-01  0.655863D+00  0.553986D+00
               116           117           118           119           120 
      1   0.374127D+00  0.553986D+00  0.588338D+00  0.226297D+00 -0.468231D+00
      2   0.639714D+00  0.727009D+00  0.226297D+00  0.478138D+00 -0.543081D+00
      3   0.727009D+00 -0.804339D-01 -0.468231D+00 -0.543081D+00  0.496802D+00
               121           122           123           124           125 
      1   0.105288D+01 -0.555293D+00  0.453162D-03 -0.143413D+01  0.152595D+00
      2  -0.555293D+00  0.406285D+01 -0.236077D+01  0.152595D+00 -0.285300D+01
      3   0.453162D-03 -0.236077D+01  0.277217D+01 -0.577583D+00  0.272965D+01
               126           127           128           129           130 
      1  -0.577583D+00 -0.293613D+01  0.112866D+01  0.131148D+01  0.148673D+01
      2   0.272965D+01  0.112866D+01 -0.126784D+01 -0.975256D+00 -0.170370D+01
      3  -0.372847D+01  0.131148D+01 -0.975256D+00 -0.137449D+01 -0.122039D+01
               131           132           133           134           135 
      1  -0.170370D+01 -0.122039D+01  0.313670D+01 -0.185802D+01 -0.206677D+01
      2   0.277910D+01  0.126705D+01 -0.185802D+01  0.231530D+01  0.198579D+01
      3   0.126705D+01  0.187766D+01 -0.206677D+01  0.198579D+01  0.365739D+01
               136           137           138           139           140 
      1  -0.678924D+01 -0.169506D+01 -0.175645D+01 -0.409200D+01 -0.171188D+01
      2  -0.169506D+01 -0.158591D+01 -0.765739D+00 -0.171188D+01 -0.186674D+01
      3  -0.175645D+01 -0.765739D+00 -0.164857D+01 -0.134402D+01 -0.764237D+00
               141           142           143           144           145 
      1  -0.134402D+01 -0.225882D+01 -0.795827D+00 -0.180736D+01  0.339773D+01
      2  -0.764237D+00 -0.795827D+00 -0.815674D+00 -0.186350D+00 -0.202352D+01
      3  -0.927454D+00 -0.180736D+01 -0.186350D+00 -0.141975D+01  0.924730D+00
               146           147           148           149           150 
      1  -0.202352D+01  0.924730D+00 -0.212421D+01  0.148103D+01 -0.904270D+00
      2   0.282804D+01 -0.163986D+01  0.148103D+01 -0.363447D+01  0.143216D+01
      3  -0.163986D+01  0.196005D+01 -0.904270D+00  0.143216D+01 -0.108521D+01
               151           152           153           154           155 
      1   0.858908D+00 -0.842658D+00  0.776585D+00 -0.471952D+01 -0.312184D+01
      2  -0.842658D+00  0.103780D+01 -0.844410D+00 -0.312184D+01 -0.300118D+01
      3   0.776585D+00 -0.844410D+00  0.170127D+01  0.997726D-01 -0.142972D+00
               156           157           158           159           160 
      1   0.997726D-01 -0.307744D+01 -0.258016D+01 -0.251539D+00 -0.124802D+01
      2  -0.142972D+00 -0.258016D+01 -0.407352D+01  0.664445D-01 -0.102210D+01
      3  -0.128152D+01 -0.251539D+00  0.664445D-01 -0.649865D+00 -0.741254D+00
               161           162           163           164           165 
      1  -0.102210D+01 -0.741254D+00 -0.151044D+01 -0.266857D-01  0.157550D+01
      2  -0.133720D+01 -0.287777D+00 -0.266857D-01 -0.550079D+00 -0.506339D+00
      3  -0.287777D+00 -0.426299D+00  0.157550D+01 -0.506339D+00 -0.178753D+01
               166           167           168           169           170 
      1   0.860461D+00 -0.488909D+00 -0.117234D+01  0.196623D+01 -0.531660D+00
      2  -0.488909D+00  0.122627D+01  0.103043D+01 -0.531660D+00  0.138572D+01
      3  -0.117234D+01  0.103043D+01  0.290548D+01 -0.224037D+01  0.102575D+01
               171 
      1  -0.224037D+01
      2   0.102575D+01
      3   0.662136D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.906799D+00 -0.553383D+00  0.702110D+00 -0.461939D+01  0.329317D+01
      2   0.610738D+01 -0.162636D+01  0.626205D+01 -0.480934D+01  0.770767D-01
      3  -0.565802D+01 -0.408446D+01  0.143621D+01  0.813662D+01  0.350664D+01
                 6             7             8             9            10 
      1  -0.403659D+01  0.237484D+01  0.226868D+00 -0.414269D+01 -0.233115D+01
      2  -0.549647D+00 -0.575298D+01 -0.349528D+01 -0.282583D+01  0.718844D+00
      3   0.249598D+01  0.404317D+01 -0.131111D+01  0.171233D+01  0.456897D+01
                11            12            13            14            15 
      1  -0.336836D+01 -0.100703D+01  0.178400D+01 -0.107048D+02 -0.250647D+01
      2   0.234172D+01 -0.942254D+01  0.826439D+01 -0.147215D+01 -0.836465D+00
      3   0.107683D+02 -0.195852D+01  0.753750D+01 -0.575245D+01 -0.331060D+00
                16            17            18            19            20 
      1  -0.234477D+01  0.717426D+01  0.792368D+01  0.124078D+01  0.501324D+01
      2  -0.727045D+01  0.182195D+01 -0.352193D+01  0.243342D+01  0.242154D+01
      3  -0.771540D+01  0.543044D+01  0.409895D+00 -0.639997D+01 -0.185566D+02
                21            22            23            24            25 
      1   0.206369D+00 -0.360858D+00  0.327744D+01 -0.189564D+01  0.231968D+01
      2   0.168215D+02 -0.811734D+00  0.283487D+01  0.350874D+00  0.378190D+01
      3  -0.246766D+01 -0.351782D+01 -0.146598D+01 -0.133115D+01  0.120347D+01
                26            27            28            29            30 
      1   0.199181D+01 -0.885925D+00  0.244479D+01 -0.181753D+01  0.208624D+01
      2   0.185859D+00  0.730642D+01  0.198639D+01 -0.397689D+01  0.780289D+00
      3  -0.461394D+01 -0.275097D+01 -0.127229D+01 -0.227916D+01  0.132914D+01
                31            32            33            34            35 
      1  -0.295959D+01  0.851397D+00  0.222216D+01  0.845521D+00  0.384221D+01
      2  -0.420443D+01  0.174320D+01 -0.210523D+01 -0.509398D+01  0.148959D+00
      3   0.321234D+01  0.721090D+01 -0.154058D+00  0.328485D+01 -0.140132D+01
                36            37            38            39            40 
      1   0.523485D+00 -0.391558D+00  0.740314D-02 -0.787529D+00  0.928118D+00
      2  -0.265674D+01 -0.880693D+00  0.495848D+01  0.668740D+01  0.454046D+01
      3   0.634178D-01 -0.464706D+01 -0.445598D+01 -0.381788D+01  0.409210D+01
                41            42            43            44            45 
      1   0.804817D+00 -0.280310D+01  0.157997D+00  0.494385D+01 -0.113236D+01
      2   0.840957D+00 -0.357821D+01 -0.262125D+01 -0.321073D+01 -0.205824D+01
      3  -0.116917D+01 -0.298691D+00 -0.272174D+01 -0.137775D+00  0.499171D+01
                46            47            48            49            50 
      1  -0.118131D+01 -0.326037D+01  0.391085D+00 -0.370862D+01 -0.541632D+01
      2  -0.522006D+01  0.110796D+01 -0.281543D+01  0.550157D+00  0.228258D+01
      3   0.738653D+01  0.176721D+01  0.208782D+01  0.476653D+01  0.226060D+00
                51            52            53            54            55 
      1  -0.110760D+02 -0.953453D+00 -0.313599D+01  0.939003D+01  0.277395D+01
      2   0.489047D+01 -0.544617D+01  0.238556D+01  0.112930D+01 -0.222413D+01
      3   0.186822D+01 -0.356365D+00 -0.339152D+00 -0.517870D+01 -0.123555D+02
                56            57            58            59            60 
      1   0.110558D+01  0.141919D+01  0.219344D+01  0.459835D+01 -0.712504D+01
      2  -0.249419D+01  0.157525D+01 -0.717226D+00 -0.233866D+01  0.405687D+00
      3  -0.668187D+01 -0.103376D+01  0.210614D+01 -0.561606D+01  0.245483D+00
                61            62            63            64            65 
      1   0.705592D+00  0.130937D+01  0.439149D+01 -0.704319D+00  0.907766D-01
      2  -0.310714D+01 -0.203518D+00 -0.113027D+01  0.844063D+00  0.103108D+01
      3  -0.465791D+01  0.209239D+01 -0.118355D+01 -0.224522D+00 -0.111165D+01
                66            67            68            69            70 
      1   0.160283D+00  0.654249D-01  0.330539D+00 -0.411449D+00  0.960801D+00
      2   0.595728D+00 -0.281547D-01  0.258638D+00  0.168257D+00 -0.439639D+01
      3   0.442897D-01  0.939525D+00 -0.262559D+00 -0.319613D+00  0.170922D+01
                71            72            73            74            75 
      1   0.355076D+01 -0.485572D+01 -0.864600D+00 -0.288108D+01 -0.258286D+01
      2  -0.649442D+00  0.293691D+01  0.132810D+01 -0.739684D+01 -0.203784D+01
      3  -0.402746D+00 -0.349629D+00  0.106269D+02  0.177273D+01  0.839304D+01
                76            77            78            79            80 
      1  -0.318111D+01 -0.261122D+00  0.133183D+01 -0.403247D+01  0.502175D+01
      2  -0.781000D+01 -0.305121D+01  0.103515D+02 -0.898506D+01  0.112934D+02
      3   0.930141D+01 -0.354997D+01  0.625242D+01  0.862722D+01  0.565980D+01
                81            82            83            84            85 
      1   0.200029D+01  0.516103D+01  0.435604D+01  0.572098D+01  0.528651D+01
      2   0.900790D+00  0.230659D+00 -0.122904D+02  0.283885D+01 -0.112586D+02
      3  -0.789357D+01  0.544844D+01 -0.837261D+01  0.664092D+01 -0.261220D+01
                86            87            88            89            90 
      1   0.387020D+01 -0.708781D+01  0.614137D+01 -0.102717D+01 -0.956519D+01
      2  -0.966145D+00  0.510624D+00 -0.307642D+01 -0.249707D+00  0.333272D+01
      3   0.238048D+01 -0.389066D+01  0.540264D+01 -0.339386D+01 -0.570467D+01
                91            92            93            94            95 
      1  -0.187830D+01  0.797184D+00 -0.506782D+00  0.242942D+01 -0.456579D+01
      2  -0.685966D-01  0.108257D+01 -0.501036D+00  0.339378D+01 -0.726198D+00
      3   0.219340D+00 -0.169363D+01  0.518822D+00 -0.839458D+00  0.178820D+01
                96            97            98            99           100 
      1   0.527830D+01 -0.150927D+01  0.631772D+01 -0.987075D+01  0.237391D+01
      2  -0.190819D+01 -0.478566D+01 -0.761221D+00  0.220788D+01 -0.272899D+01
      3  -0.158703D+01  0.120053D+01 -0.108141D+01  0.302695D+01  0.188343D+01
               101           102           103           104           105 
      1   0.275742D+01 -0.706115D+00  0.267770D+01  0.780795D+01 -0.117544D+01
      2  -0.201366D+01  0.149326D+01 -0.407355D+01 -0.237535D+01  0.200161D+00
      3  -0.503049D+00 -0.197077D+00  0.437380D+01 -0.193728D+01 -0.350925D+00
               106           107           108           109           110 
      1  -0.518511D+00  0.117773D+01 -0.371519D+00 -0.147806D+01 -0.643300D+00
      2  -0.691454D+00 -0.514714D+00 -0.711190D+00  0.165301D+01  0.177664D+01
      3   0.557040D+00  0.153953D+00  0.122308D+01  0.116683D+02  0.314032D+01
               111           112           113           114           115 
      1  -0.268564D+01 -0.926258D+00 -0.279284D+00 -0.181163D+01 -0.105142D+01
      2   0.194733D+01  0.966747D+00  0.123236D+01  0.968840D+00 -0.138000D+00
      3   0.270807D+00  0.508706D+01  0.387331D+01 -0.826188D-01  0.147963D+01
               116           117           118           119           120 
      1  -0.297641D+00  0.158558D+00  0.423544D-01 -0.388183D+00 -0.275265D+00
      2   0.783356D+00  0.445363D+00  0.240243D+01  0.134541D+01 -0.895094D+00
      3  -0.835477D-01  0.630386D+00  0.190121D+01  0.118092D+01 -0.155202D+01
               121           122           123           124           125 
      1   0.561904D-01 -0.800825D+00 -0.319684D+01  0.267833D+00  0.774622D+00
      2   0.187904D+01  0.561341D+01 -0.715231D+01 -0.187869D+01 -0.642015D+01
      3   0.223956D+01  0.977188D+01 -0.609302D+01 -0.241479D+01 -0.717465D+01
               126           127           128           129           130 
      1   0.291628D+01 -0.166708D+01  0.104451D+01  0.217458D+01  0.170130D+01
      2   0.856125D+01 -0.382219D+01  0.315788D+01  0.533624D+01  0.292837D+01
      3   0.619580D+01  0.335892D+00 -0.360760D+01 -0.160853D+01 -0.142128D+01
               131           132           133           134           135 
      1  -0.136937D+01 -0.371799D+01  0.203579D+01 -0.464077D+00 -0.527843D+01
      2  -0.382584D+01 -0.603163D+01  0.370775D+01 -0.539304D+01 -0.108334D+02
      3   0.594720D+01  0.220699D+01 -0.133244D+01  0.537874D+01  0.374880D+01
               136           137           138           139           140 
      1   0.201060D+01  0.193676D+01  0.993566D+00  0.126015D+01  0.206933D+01
      2   0.164734D+01  0.129976D+01  0.555871D+01  0.152018D+01  0.133953D+01
      3  -0.871781D+01 -0.768082D+01 -0.350866D+01 -0.514581D+01 -0.749432D+01
               141           142           143           144           145 
      1  -0.436845D+00  0.138957D+01  0.159438D+01  0.542388D+00 -0.190678D+01
      2   0.301652D+01  0.212118D+01  0.252800D+00  0.323232D+01 -0.822608D+01
      3  -0.269383D+01 -0.360682D+01 -0.346882D+01 -0.174328D+01 -0.942476D+01
               146           147           148           149           150 
      1   0.257404D+01  0.137510D+01  0.114277D+01 -0.342185D+01 -0.107222D+01
      2   0.488397D+01 -0.186748D+01  0.514101D+01 -0.411454D+01  0.219728D+01
      3   0.480790D+01 -0.276620D+01  0.702562D+01 -0.590820D+01  0.303925D+01
               151           152           153           154           155 
      1  -0.572115D-01  0.154485D+01  0.117980D+01 -0.445474D+01 -0.439820D+01
      2  -0.339356D+01  0.250149D+01 -0.274738D+01  0.581530D+01  0.430724D+01
      3  -0.269160D+01  0.227910D+01 -0.225660D+01  0.241063D+01 -0.255619D+01
               156           157           158           159           160 
      1  -0.355637D+01 -0.406803D+01 -0.538024D+01 -0.262248D+01 -0.206862D+01
      2   0.420357D+01  0.486249D+01  0.361768D+01  0.237485D+01  0.159962D+01
      3  -0.259277D-01  0.222511D+01 -0.343965D+01  0.445064D+00  0.697746D+00
               161           162           163           164           165 
      1  -0.740832D+00 -0.174436D+01  0.171728D+01 -0.237254D+01 -0.312191D+01
      2   0.141445D+01  0.221652D+01  0.117728D+00  0.752223D+00  0.206052D+01
      3  -0.119362D+01  0.540464D+00  0.122776D+01 -0.191985D+01 -0.245337D+01
               166           167           168           169           170 
      1  -0.181507D+01  0.462832D+01  0.352191D+01 -0.364077D+01  0.626164D+01
      2  -0.333594D+00 -0.970193D+00 -0.327339D+01 -0.169806D+01 -0.913512D+00
      3  -0.381922D+00  0.291450D+01  0.269232D+01 -0.270843D+01  0.360752D+01
               171 
      1   0.948950D+01
      2  -0.789756D+01
      3   0.451814D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768454D+01 -0.223934D+01 -0.400106D+01  0.320743D+01 -0.109406D+02
      2  -0.400109D+01  0.694525D-01 -0.800565D-01 -0.284628D+01  0.166019D+02
      3  -0.368345D+01  0.216988D+01  0.408111D+01 -0.361150D+00 -0.566138D+01
      4  -0.588782D+01  0.145672D+02  0.436175D+01  0.701838D+01 -0.718056D+01
      5  -0.599552D+01  0.484409D+01  0.133092D+02  0.355992D+01 -0.487620D+01
      6   0.368961D+01  0.443643D+00 -0.122903D+01 -0.139035D+01  0.855826D+01
                 6             7             8             9            10 
      1  -0.560650D+01  0.247358D+01 -0.526721D+01 -0.106702D+02 -0.508442D+02
      2   0.214037D+01  0.324867D+00  0.237751D+01 -0.288675D+01  0.295647D+02
      3   0.346613D+01 -0.279845D+01  0.288970D+01  0.135570D+02  0.212795D+02
      4  -0.265564D+01  0.334243D+01  0.308112D+01 -0.374481D+01 -0.397514D+01
      5   0.828479D+00  0.719254D+01 -0.417145D+01 -0.415098D+01 -0.186028D+02
      6   0.845622D+01 -0.983065D+00  0.981909D+01  0.920392D+01  0.326391D+01
                11            12            13            14            15 
      1   0.175943D+01 -0.845443D+01 -0.695270D+01  0.147830D+01  0.850775D+01
      2  -0.689930D+01  0.805815D+01  0.226610D+01 -0.604558D+00 -0.146308D+01
      3   0.513987D+01  0.396277D+00  0.468660D+01 -0.873741D+00 -0.704467D+01
      4  -0.157307D+02  0.111759D+00  0.473114D+01 -0.337320D+01  0.123306D+01
      5   0.139194D+00 -0.183450D+02 -0.215055D+01  0.585193D+00 -0.177394D+01
      6  -0.557116D+01  0.909214D+00 -0.384122D+00 -0.564148D+01  0.327198D+00
                16            17            18            19            20 
      1  -0.165936D+02  0.900775D+01  0.470021D-01  0.102095D+03  0.896061D+00
      2   0.838378D+01 -0.872529D+01  0.362229D+00 -0.557669D+02  0.356798D+01
      3   0.820986D+01 -0.282462D+00 -0.409231D+00 -0.463280D+02 -0.446404D+01
      4  -0.152755D+01 -0.786252D+01  0.149062D+01  0.196229D-01  0.248942D+02
      5  -0.113785D+01  0.330191D+01 -0.641962D+01  0.241536D+02  0.137214D+00
      6   0.205324D+01 -0.226841D+01 -0.567293D+01 -0.544305D+01  0.301121D+01
                21            22            23            24            25 
      1   0.156824D+02  0.392411D+01  0.959028D+01 -0.204755D+01  0.129404D+02
      2  -0.122331D+02 -0.312339D+01 -0.160519D+00  0.803690D+00 -0.105026D+02
      3  -0.344924D+01 -0.800722D+00 -0.942976D+01  0.124386D+01 -0.243775D+01
      4  -0.972420D-02  0.218715D+02  0.184236D+01  0.571713D+01 -0.149279D+01
      5   0.283489D+02 -0.133312D+01  0.446753D+01  0.661212D+00  0.277819D+02
      6  -0.227149D+01  0.336227D+01 -0.391811D+00  0.511633D+01 -0.277311D+01
                26            27            28            29            30 
      1  -0.182067D+01  0.125527D+02 -0.587427D+01  0.531424D+01  0.205139D+01
      2   0.131426D+01 -0.136984D+02  0.393905D+01 -0.622969D+01 -0.952119D+00
      3   0.506417D+00  0.114568D+01  0.193522D+01  0.915448D+00 -0.109927D+01
      4   0.632197D+01 -0.111536D+01  0.727469D+00  0.542628D+00 -0.209954D+00
      5  -0.126230D+00  0.176344D+02  0.205608D+01  0.100548D+00 -0.280171D-01
      6   0.526370D+01 -0.165083D+01  0.105400D+01 -0.605447D+00 -0.233778D+01
                31            32            33            34            35 
      1  -0.595144D+01  0.866441D+01 -0.611463D+01  0.278946D+00 -0.981439D+01
      2   0.430998D+01 -0.146709D+02  0.382142D+01 -0.104724D+01  0.170433D+02
      3   0.164145D+01  0.600653D+01  0.229322D+01  0.768289D+00 -0.722888D+01
      4  -0.365273D+01 -0.155067D+01  0.156215D+01 -0.808117D+00 -0.139976D+01
      5  -0.439106D+00  0.204607D+00 -0.413877D+01 -0.255999D+01 -0.713863D+00
      6   0.145295D+01  0.157317D+01 -0.356380D+01 -0.360916D-01 -0.551420D+00
                36            37            38            39            40 
      1   0.860992D+01  0.243047D+01  0.780876D+01 -0.451952D+01  0.131019D+02
      2   0.122937D+02 -0.115051D+01 -0.137452D+01  0.337283D+01 -0.369758D+01
      3  -0.209036D+02 -0.127996D+01 -0.643424D+01  0.114669D+01 -0.940428D+01
      4   0.104815D+01  0.120712D+02  0.414621D+00  0.482298D+01  0.291276D+00
      5  -0.560134D+01 -0.501342D+01  0.553468D+01  0.257223D+01  0.105593D+02
      6  -0.995982D+01 -0.240890D+01  0.485739D+01  0.962436D+00  0.350951D+01
                41            42            43            44            45 
      1   0.699729D+00  0.663478D+01 -0.276563D+01  0.643409D+01  0.306185D+01
      2   0.311085D+01 -0.420758D+01  0.117564D+01 -0.190782D+01 -0.630579D+01
      3  -0.381058D+01 -0.242720D+01  0.158999D+01 -0.452627D+01  0.324394D+01
      4  -0.718446D-01  0.287489D+01  0.845272D+01  0.187787D+01 -0.827067D+01
      5   0.382925D+01 -0.869515D+01  0.430017D+01 -0.880107D+01  0.274149D+01
      6   0.472410D+01 -0.477440D+01 -0.246521D+01 -0.493602D+01  0.355581D+01
                46            47            48            49            50 
      1  -0.362253D+01  0.364385D+01  0.753403D+01  0.197644D+01  0.632829D+01
      2  -0.838678D+00 -0.693015D+01 -0.756098D+00 -0.743194D+01 -0.109190D+02
      3   0.446121D+01  0.328631D+01 -0.677794D+01  0.545550D+01  0.459074D+01
      4  -0.246165D+01 -0.120259D+02 -0.371444D+01 -0.663120D+01 -0.847397D+01
      5   0.325816D+01 -0.556422D+01 -0.706915D+01 -0.466405D+01 -0.706302D+01
      6   0.517635D+00 -0.930206D+01 -0.533114D+01 -0.834546D+01 -0.112479D+02
                51            52            53            54            55 
      1  -0.778157D+01  0.598126D+01 -0.594573D+01  0.670450D+01  0.473365D+01
      2  -0.108457D+02 -0.174308D+01 -0.699891D+01  0.972289D+01 -0.821903D+01
      3   0.186273D+02 -0.423818D+01  0.129446D+02 -0.164274D+02  0.348538D+01
      4  -0.526443D+01 -0.120701D+01 -0.245807D+01  0.123631D+01 -0.173843D+02
      5   0.452983D+01 -0.230727D+01  0.136453D+01 -0.653072D+01 -0.133139D+01
      6  -0.240565D+01 -0.197311D+01 -0.105150D+00  0.653764D+01 -0.356678D+01
                56            57            58            59            60 
      1   0.166504D+01 -0.124853D+00  0.320774D+01 -0.205812D+02  0.590782D+01
      2  -0.914390D+01  0.220789D+00 -0.600264D+01  0.306836D+02 -0.157797D+01
      3   0.747886D+01 -0.959356D-01  0.279490D+01 -0.101024D+02 -0.432985D+01
      4  -0.568962D+01 -0.270538D+01  0.364022D+00 -0.508141D+01 -0.208366D+01
      5  -0.650613D+00  0.326317D+01 -0.356273D+00 -0.107688D+01  0.178031D+01
      6  -0.209618D+01 -0.142112D+01 -0.192762D+01 -0.436159D+01  0.922623D+01
                61            62            63            64            65 
      1  -0.131945D+01  0.915534D+01 -0.823627D+01  0.217876D+00 -0.366323D+00
      2   0.145900D+00 -0.141756D+02  0.205715D+01 -0.318870D+01 -0.219204D+00
      3   0.117355D+01  0.502023D+01  0.617913D+01  0.297082D+01  0.585527D+00
      4  -0.544309D+01 -0.361292D+01  0.323297D+00 -0.245097D+00  0.246586D+01
      5   0.345803D+01  0.181891D+01 -0.229586D+01  0.112548D+01  0.124438D+01
      6  -0.880421D+00  0.108662D+02 -0.605134D+01  0.204161D+01  0.187045D+00
                66            67            68            69            70 
      1   0.443794D+00  0.151200D+00 -0.559269D+01 -0.357614D+01  0.430788D+00
      2  -0.601108D+00 -0.198004D+00  0.298599D+01  0.958297D+00 -0.260759D+00
      3   0.157314D+00  0.468036D-01  0.260669D+01  0.261784D+01 -0.170029D+00
      4   0.247820D+01  0.180937D+01  0.517873D+00  0.218178D+00  0.172361D+01
      5   0.662187D+01  0.690460D+00  0.414288D+00  0.654232D+00  0.607299D+01
      6   0.635099D+00  0.211673D+00  0.456553D+01  0.834144D+01  0.866654D+00
                71            72            73            74            75 
      1  -0.469232D+01 -0.183769D+02 -0.119135D+02 -0.159107D+02 -0.376057D+01
      2   0.108780D+01 -0.155325D+02  0.104203D+02  0.101379D+02  0.578991D+01
      3   0.360452D+01  0.339094D+02  0.149320D+01  0.577273D+01 -0.202934D+01
      4   0.897289D+00  0.202662D+00 -0.170665D+02 -0.124573D+01 -0.154632D+02
      5   0.103441D+01  0.509926D+01 -0.176288D+01 -0.171434D+02 -0.827842D+01
      6   0.769214D+01  0.162125D+02 -0.538536D+01  0.353548D+01  0.437784D+00
                76            77            78            79            80 
      1  -0.207819D+02 -0.778932D+00 -0.196220D+02 -0.412000D+01 -0.181250D+02
      2   0.132035D+02  0.113421D+01  0.992914D+01  0.640411D+01  0.824426D+01
      3   0.757840D+01 -0.355279D+00  0.969288D+01 -0.228410D+01  0.988071D+01
      4  -0.390013D+01  0.405666D+01 -0.120671D+01 -0.182941D+02  0.755251D+00
      5  -0.211427D+02 -0.381657D+01  0.136064D+02 -0.116204D+02  0.149242D+02
      6   0.318336D+01  0.165074D+01 -0.864063D+01  0.366552D+01 -0.914137D+01
                81            82            83            84            85 
      1  -0.246832D+01  0.369167D+01 -0.189486D+02  0.410574D+01 -0.191387D+02
      2  -0.192326D+01 -0.102173D+02  0.193127D+01 -0.110530D+02 -0.274316D+00
      3   0.439158D+01  0.652566D+01  0.170173D+02  0.694730D+01  0.194130D+02
      4   0.155007D+02 -0.128782D+02 -0.135538D+02 -0.496293D+01 -0.139081D+02
      5   0.374414D+01  0.609545D+00  0.818686D+00 -0.443590D+01 -0.159273D+01
      6  -0.238851D+00  0.705821D+01 -0.698044D+01  0.613722D+01 -0.653133D+01
                86            87            88            89            90 
      1  -0.254822D+01 -0.289003D+01  0.169527D+01 -0.407294D+01 -0.231799D+01
      2  -0.333534D+01  0.990542D+01 -0.115340D+02  0.766180D+01  0.141284D+02
      3   0.588356D+01 -0.701539D+01  0.983873D+01 -0.358885D+01 -0.118104D+02
      4  -0.486006D+01 -0.687434D+01 -0.853784D+01 -0.948277D+01  0.876704D+01
      5  -0.303866D+01  0.171791D+02 -0.605979D+01  0.148166D+02  0.919686D+01
      6  -0.102093D+01  0.525698D+01  0.663448D+01  0.587986D+01 -0.776968D+01
                91            92            93            94            95 
      1  -0.304757D+00 -0.627338D+00  0.986271D-01 -0.620375D+00 -0.479924D+01
      2  -0.397987D+01  0.124480D+01 -0.161216D+01  0.260319D+01 -0.926164D+00
      3   0.428462D+01 -0.617458D+00  0.151354D+01 -0.198282D+01  0.572540D+01
      4  -0.192879D+00  0.231171D+01  0.719376D+00  0.171217D+01  0.847981D-01
      5   0.183222D+01 -0.116201D+01  0.822341D+01 -0.298383D+01  0.228112D+01
      6  -0.785457D+00  0.115586D+01  0.578371D+00  0.279076D+01 -0.313696D+01
                96            97            98            99           100 
      1   0.772910D+01 -0.211196D+01  0.273296D+01 -0.213429D+02  0.621274D+00
      2   0.856560D+01 -0.195779D+01  0.446441D+01 -0.196087D+02  0.436577D+01
      3  -0.162947D+02  0.406976D+01 -0.719737D+01  0.409516D+02 -0.498705D+01
      4   0.192572D+01  0.703961D+00  0.184335D+01 -0.109577D+01  0.890239D+01
      5  -0.430418D+01  0.731377D+01 -0.894771D+00  0.853740D+01  0.513436D+01
      6   0.573927D+01 -0.136157D+00  0.603909D+01  0.258129D+00  0.558058D+01
               101           102           103           104           105 
      1  -0.318050D+01 -0.208407D+01 -0.311050D+01 -0.178481D+02 -0.711700D+01
      2   0.688237D+01  0.987136D+00  0.663721D+01  0.278805D+02  0.690782D+01
      3  -0.370187D+01  0.109693D+01 -0.352671D+01 -0.100324D+02  0.209187D+00
      4   0.119048D+02  0.432390D+01  0.114345D+02  0.151905D+02  0.507107D+01
      5   0.600043D+01  0.518360D+01  0.542991D+01  0.640620D+01  0.423150D+01
      6   0.737503D+01  0.552360D+01  0.640147D+01  0.211285D+02  0.129914D+02
               106           107           108           109           110 
      1  -0.229499D+01 -0.338908D+01 -0.592261D+01  0.198364D+01 -0.365156D+01
      2   0.271174D+00  0.213659D+01  0.158935D+01  0.911944D+01  0.154122D+02
      3   0.202382D+01  0.125249D+01  0.433326D+01 -0.111031D+02 -0.117606D+02
      4   0.147039D+01  0.227928D+01  0.292771D+01  0.219782D+02  0.202959D+02
      5   0.249182D+01  0.264389D+01  0.322044D+01 -0.255052D+00 -0.160625D+00
      6   0.347543D+01  0.839579D+01  0.576606D+01  0.172331D+01  0.122379D+01
               111           112           113           114           115 
      1  -0.133709D-01 -0.144783D+01 -0.569450D+01 -0.121385D+00 -0.812436D-01
      2  -0.190419D+00  0.823353D+01  0.155431D+02  0.346204D+00  0.854797D+00
      3   0.203790D+00 -0.678570D+01 -0.984856D+01 -0.224819D+00 -0.773553D+00
      4   0.366282D+00  0.129120D+02  0.126404D+02  0.185789D+00  0.265467D+01
      5   0.230604D+01 -0.241760D+00  0.172728D+00  0.101888D+01  0.284375D+01
      6   0.365580D+01  0.745340D+00  0.118471D+01  0.293918D+01  0.322090D+01
               116           117           118           119           120 
      1  -0.962068D+00 -0.124880D+01 -0.167927D+01 -0.162371D+01  0.379822D+01
      2   0.189644D+01  0.138356D+01  0.976053D+00  0.850564D+00 -0.122281D+01
      3  -0.934372D+00 -0.134763D+00  0.703217D+00  0.773146D+00 -0.257542D+01
      4   0.241659D+01  0.305589D+01  0.136033D+01  0.137616D+01  0.469934D-01
      5   0.194059D+01  0.592872D+00  0.107278D+01  0.749699D+00  0.860591D+00
      6   0.454826D+01  0.389657D+00 -0.129714D+01 -0.108180D+01  0.921598D+00
               121           122           123           124           125 
      1  -0.395527D+01 -0.837878D+01  0.809551D+01  0.649201D+01  0.834157D+01
      2   0.138216D+01  0.116199D+02 -0.517710D+01 -0.330754D+01 -0.609380D+01
      3   0.257311D+01 -0.324114D+01 -0.291841D+01 -0.318447D+01 -0.224777D+01
      4   0.690489D+01 -0.158586D+02  0.894141D+01 -0.320133D+01  0.107818D+02
      5  -0.113842D+01  0.941437D+01 -0.120155D+02  0.591002D+01 -0.109858D+02
      6   0.815292D+00 -0.109603D+02  0.112224D+02 -0.146164D+01  0.115247D+02
               126           127           128           129           130 
      1  -0.814241D+01  0.160350D+02 -0.451607D+01 -0.610361D+01 -0.573821D+01
      2   0.401620D+00 -0.697953D+01 -0.593335D+00  0.156510D+01 -0.660867D+00
      3   0.774079D+01 -0.905547D+01  0.510941D+01  0.453851D+01  0.639908D+01
      4  -0.103193D+02 -0.973881D+01  0.100892D+02  0.766525D+01  0.127829D+02
      5   0.143335D+02 -0.814223D+01  0.663090D+01  0.103305D+02  0.770037D+01
      6  -0.118745D+02  0.374443D+01 -0.244138D+01 -0.290008D+01 -0.356671D+01
               131           132           133           134           135 
      1   0.182943D+01  0.318655D+01 -0.133581D+02  0.415166D+01  0.325384D+01
      2   0.535274D+01  0.103771D+01  0.546736D+01  0.184954D+01 -0.291781D+01
      3  -0.718217D+01 -0.422426D+01  0.789071D+01 -0.600120D+01 -0.336030D+00
      4  -0.156647D+02 -0.816777D+01  0.136115D+02 -0.135543D+02 -0.114922D+02
      5  -0.726591D+01 -0.101311D+02  0.144349D+02 -0.109350D+02 -0.205340D+02
      6   0.563725D+01  0.750719D+01 -0.536064D+01  0.815623D+01  0.962605D+01
               136           137           138           139           140 
      1   0.443251D+02  0.110568D+02  0.105827D+02  0.233163D+02  0.803053D+01
      2  -0.259840D+02 -0.742091D+01 -0.857033D+01 -0.138765D+02 -0.403158D+01
      3  -0.183411D+02 -0.363590D+01 -0.201237D+01 -0.943981D+01 -0.399895D+01
      4   0.789830D+01  0.103658D+02  0.370648D+01  0.113001D+02  0.115326D+02
      5   0.154638D+02  0.562623D+01  0.129685D+02  0.102289D+02  0.509647D+01
      6   0.138575D+01  0.113298D+01  0.146588D+00  0.185918D+01  0.242931D+01
               141           142           143           144           145 
      1   0.622775D+01  0.125467D+02  0.431933D+01  0.695062D+01 -0.847360D+01
      2  -0.538305D+01 -0.983610D+01 -0.352066D+01 -0.656112D+01  0.707174D+01
      3  -0.844704D+00 -0.271060D+01 -0.798673D+00 -0.389505D+00  0.140186D+01
      4   0.390294D+01  0.381366D+01  0.409068D+01  0.120540D+01 -0.653214D+01
      5   0.705463D+01  0.138893D+02  0.246949D+01  0.958942D+01  0.793878D+01
      6   0.309202D+01  0.380678D+00  0.346320D+01  0.920587D+00 -0.629501D+01
               146           147           148           149           150 
      1   0.128828D+02 -0.832560D+01  0.100030D+02 -0.139288D+02  0.777683D+01
      2  -0.110477D+02  0.281362D+01 -0.747191D+01  0.161786D+02 -0.497490D+01
      3  -0.183506D+01  0.551198D+01 -0.253105D+01 -0.224982D+01 -0.280194D+01
      4   0.380548D+01 -0.561344D+00  0.642046D+01  0.224122D+00  0.599928D+00
      5  -0.305147D+01  0.193471D+01 -0.408289D+01  0.199027D+01 -0.164089D+01
      6   0.101598D+02 -0.893029D+01  0.596930D+01 -0.125229D+02  0.854512D+01
               151           152           153           154           155 
      1  -0.476570D+01  0.673977D+01 -0.713177D+01  0.200444D+02  0.855838D+01
      2   0.255423D+01 -0.387540D+01 -0.221102D+00 -0.152386D+01  0.594178D+01
      3   0.221147D+01 -0.286437D+01  0.735287D+01 -0.185205D+02 -0.145002D+02
      4  -0.919797D+00  0.115968D+01 -0.162288D+01  0.240653D+02  0.211111D+02
      5   0.398640D+01 -0.199497D+01 -0.213574D+00 -0.722815D+01 -0.477158D+01
      6  -0.506611D+01  0.748601D+01 -0.661253D+01 -0.401474D+01 -0.387907D+01
               156           157           158           159           160 
      1   0.173179D+01  0.909537D+01  0.143141D+01  0.164065D+01  0.530488D+01
      2   0.245688D+01  0.477733D+01  0.135388D+02  0.486528D+00  0.111976D+01
      3  -0.418867D+01 -0.138727D+02 -0.149702D+02 -0.212718D+01 -0.642465D+01
      4   0.269978D+00  0.196905D+02  0.219364D+02  0.693716D+00  0.635421D+01
      5   0.655994D+01 -0.489947D+01 -0.357553D+01  0.231062D+01  0.351537D+01
      6   0.373619D+01 -0.297636D+01 -0.587915D+01  0.429667D+01  0.197225D+01
               161           162           163           164           165 
      1   0.147256D+01  0.214865D+01  0.451505D+01  0.204864D+00 -0.300557D+01
      2   0.293972D+01 -0.747989D+00 -0.644023D+01  0.245738D+01  0.918885D+01
      3  -0.441227D+01 -0.140066D+01  0.192518D+01 -0.266224D+01 -0.618328D+01
      4   0.662980D+01  0.323434D+01  0.138433D+01  0.423312D+01  0.909676D-01
      5   0.939854D+00  0.121137D+01 -0.100863D+02  0.201485D+01  0.129163D+02
      6   0.221970D+01  0.252808D+01 -0.862585D+00 -0.112474D+01  0.777027D+00
               166           167           168           169           170 
      1  -0.164958D+01 -0.382537D+00 -0.172124D+01 -0.355116D+01  0.843038D+00
      2   0.489660D+01 -0.313962D+01 -0.949015D+01  0.106695D+02 -0.660947D+01
      3  -0.324702D+01  0.352216D+01  0.112114D+02 -0.711836D+01  0.576643D+01
      4   0.309785D+01 -0.386608D+01 -0.244643D+01 -0.695486D+00 -0.376431D+01
      5   0.685606D+01 -0.414925D+01 -0.111558D+02  0.147434D+02 -0.458661D+01
      6  -0.952131D+00  0.504842D+01  0.356928D+01  0.911001D+00  0.578032D+01
               171 
      1  -0.896582D+01
      2  -0.230306D+02
      3   0.319964D+02
      4  -0.133117D+01
      5  -0.259281D+02
      6  -0.383092D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x         -0.138051D+01     -0.350890D+01     -0.117044D+02
   y          0.120940D+00      0.307399D+00      0.102537D+01
   z          0.920778D-01      0.234038D+00      0.780668D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.873560D+02      0.129448D+02      0.144031D+02
   yx         0.237664D+01      0.352182D+00      0.391856D+00
   yy         0.740382D+02      0.109713D+02      0.122073D+02
   zx         0.408341D+01      0.605099D+00      0.673264D+00
   zy         0.101509D+01      0.150421D+00      0.167366D+00
   zz         0.713563D+02      0.105739D+02      0.117651D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.838745D+02      0.124289D+02      0.138290D+02
   aniso      0.178868D+02      0.265055D+01      0.294914D+01
   xx         0.942490D+02      0.139663D+02      0.155396D+02
   yx         0.204460D+01      0.302978D+00      0.337108D+00
   yy         0.801319D+02      0.118743D+02      0.132120D+02
   zx         0.422702D+01      0.626380D+00      0.696942D+00
   zy         0.133699D+01      0.198121D+00      0.220440D+00
   zz         0.772425D+02      0.114462D+02      0.127356D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -1.55437010         -1.74497195         -2.18063241
     6          0.37768643         -0.15391781         -2.68318866
     8          1.24977350          0.13306867         -4.75163775
     6          1.11616825          1.25650837         -0.26329880
     6         -0.00310995         -0.40101639          1.83007081
     6         -2.29324872         -1.53288588          0.43907627
     8         -0.07542417          3.66815660         -0.31080882
     1          3.16790422          1.44562121         -0.12806063
     6         -0.76986026          1.03577573          4.20354551
     6          1.89345626         -2.49931554          2.46239409
     1         -3.94135709         -0.29897836          0.54428798
     1         -2.79563854         -3.41649324          1.09591365
     1          0.43444072          4.51892883         -1.84140311
     1         -2.05346140          2.58054691          3.76304098
     1          0.88550229          1.82725366          5.14449394
     1         -1.70058522         -0.23901202          5.53418525
     1          2.44070756         -3.57130167          0.78601799
     1          1.07255014         -3.82032819          3.81599103
     1          3.60355101         -1.70715325          3.29857708

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.138885D+01      0.353011D+01      0.117752D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.722483D+02      0.107061D+02      0.119121D+02
   yx         0.179840D+01      0.266495D+00      0.296516D+00
   yy         0.742555D+02      0.110035D+02      0.122431D+02
   zx        -0.524639D+01     -0.777434D+00     -0.865012D+00
   zy        -0.295332D+01     -0.437636D+00     -0.486936D+00
   zz         0.862468D+02      0.127805D+02      0.142202D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.838745D+02      0.124289D+02      0.138290D+02
   aniso      0.178868D+02      0.265055D+01      0.294914D+01
   xx         0.782102D+02      0.115896D+02      0.128951D+02
   yx         0.212082D+01      0.314273D+00      0.349675D+00
   yy         0.802416D+02      0.118906D+02      0.132301D+02
   zx        -0.540531D+01     -0.800984D+00     -0.891215D+00
   zy        -0.265930D+01     -0.394067D+00     -0.438459D+00
   zz         0.931716D+02      0.138066D+02      0.153619D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K13-24-01\Freq\RLC-PBEPBE\Gen\C6H10O3\PIERPA\16-Jul-2021\
 0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,T
 ight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028
 0000000,3/108=0280000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/
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 1.0150904,71.3563145\Quadrupole=-4.4669186,2.0097535,2.457165,4.256650
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 @


 QUHEN THE CAUSS IS TAKEN AWAY THE EFFECT WANISHETH.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:       0 days  7 hours 14 minutes 38.7 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 56.1 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 20:09:03 2021.
